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α-Cyano-3-hydroxycinnamic Acid - 98%, high purity , CAS No.54673-07-3

COA

Grade & Purity:

≥98%

Cas Number: 54673-07-3
Molecular Weight: 189.17
MDL number: MFCD00004203
PubChem CID: 2101
PubChem SID: 488179661

In stock

Item Number

A151282

Grouped product items
SKU	Size	Availability	Price
A151282-1g	1g	5	$47.90
A151282-5g	5g	5	$183.90
A151282-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$825.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Cyano-3-(3-hydroxyphenyl)acrylic Acid \| 2-cyano-3-(3-hydroxyphenyl)-2-propenoic acid \| 2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid \| SPBio_001421 \| Q27187518 \| DivK1c_000765 \| KBio2_001977 \| Spectrum3_001505 \| KBioGR_000705 \| FT-0622131 \| KBio3_002649
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Hydroxycinnamic acids and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxycinnamic acids
Alternative Parents	Coumaric acids Cinnamic acids 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - Coumaric acid - Coumaric acid or derivatives - Hydroxycinnamic acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
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	488179661
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179661
IUPAC Name	2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid
INCHI	InChI=1S/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14)
InChIKey	HPLNTJVXWMJLNJ-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O
Molecular Weight	189.17
Reaxy-Rn	2723937
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2723937&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
G2130036	Certificate of Analysis	May 12, 2025	A151282
G2130037	Certificate of Analysis	May 12, 2025	A151282
G2130092	Certificate of Analysis	May 12, 2025	A151282
C2306931	Certificate of Analysis	Jul 06, 2021	A151282
C2306932	Certificate of Analysis	Jul 06, 2021	A151282

Chemical and Physical Properties

Melt Point(°C)	222 °C
Molecular Weight	189.170 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	189.043 Da
Monoisotopic Mass	189.043 Da
Topological Polar Surface Area	81.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	300.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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