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3-(4-Carboxyphenyl)propionic Acid - >98.0%, high purity , CAS No.38628-51-2

COA

Grade & Purity:

≥98%

Cas Number: 38628-51-2
Molecular Weight: 194.19
Beilstein Registry Number: 9(2)622
MDL number: MFCD00016560
PubChem CID: 854054
PubChem SID: 488191643

In stock

Item Number

C153555

Grouped product items
SKU	Size	Availability	Price
C153555-250mg	250mg	3	$9.90
C153555-1g	1g	≥10	$22.90
C153555-5g	5g	9	$86.90
C153555-25g	25g	1	$321.90
C153555-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	4-Carboxyhydrocinnamic acid \| MFCD00016560 \| Carboxyphenylpropionicacid; 985 \| F9995-0938 \| Benzenepropanoic acid, 4-carboxy- \| EN300-146251 \| 4-(2-carboxyethyl)benzoic Acid \| 3-(4-Carboxyphenyl)propionic acid, 97% \| AC-5069 \| 3-(4-Carboxyphenyl)propionic
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3-(4-Carboxyphenyl)propionic acid, also known as 4-(2-carboxyethyl)benzoic acid, is an organic building block that can be used in chemical synthesis. Its density at 40.14°C is 1.1403g/ml 3-(4-Carboxyphenyl)propionic acid may be used as a bridging ligand in the preparation of nickel(II) complexes, [Ni(4,4?-bpy)(H2O)4]n·n(cpp)·0.5nH2O and [Ni(cpp)(4,4?-bpy)(H2O)2]n [4, 4?-bpy = 4, 4?-bipyridine, H2cpp = 3-(4-carboxyphenyl)propionic acid].

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488191643
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191643
IUPAC Name	4-(2-carboxyethyl)benzoic acid
INCHI	InChI=1S/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)
InChIKey	QSPCOYVUYYFWAU-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CCC(=O)O)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1CCC(=O)O)C(=O)O
WGK Germany	3
Molecular Weight	194.19
Beilstein	9(2)622
Reaxy-Rn	2615779
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2615779&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

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10 results found

Lot Number	Certificate Type	Date	Item
L2417372	Certificate of Analysis	Dec 20, 2024	C153555
L2220069	Certificate of Analysis	Jan 04, 2023	C153555
L2212360	Certificate of Analysis	Dec 15, 2022	C153555
C2330712	Certificate of Analysis	Dec 15, 2022	C153555
L22071172	Certificate of Analysis	Dec 14, 2022	C153555
L2424031	Certificate of Analysis	Dec 14, 2022	C153555
L2205721	Certificate of Analysis	Dec 12, 2022	C153555
K1816026	Certificate of Analysis	Sep 17, 2022	C153555
K1816025	Certificate of Analysis	Sep 17, 2022	C153555
F2307033	Certificate of Analysis	Sep 17, 2022	C153555

Chemical and Physical Properties

Melt Point(°C)	288-291°C
Molecular Weight	194.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.058 Da
Monoisotopic Mass	194.058 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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