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(S)-3-Phenylbutyric acid - ≥95.0%, high purity , CAS No.772-15-6

COA

Grade & Purity:

≥95%

Cas Number: 772-15-6
Molecular Weight: 164.2
MDL number: MFCD00077842
PubChem CID: 852991

In stock

Item Number

S300851

Grouped product items
SKU	Size	Availability	Price	Qty
S300851-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$711.90
S300851-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,199.90

Discover (S)-3-Phenylbutyric acid by Aladdin Scientific in ≥95.0% for only $711.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(S)-beta-Methylhydrocinnamic acid \| FBZ \| MFCD00077842 \| Q27460225 \| AKOS015890816 \| (S)-3-PHENYLBUTYRICACID \| DTXSID60357380 \| CS-0106072 \| 3-Phenylbutanoic acid # \| AS-58165 \| A914434 \| Benzenepropanoic acid, .beta.-methyl-, (S)- \| (S)-3-Phenylbutanoic
Specifications & Purity	≥95%
Shipped In	Normal

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	Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - 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

IUPAC Name	(3S)-3-phenylbutanoic acid
INCHI	InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey	ZZEWMYILWXCRHZ-QMMMGPOBSA-N
Smiles	CC(CC(=O)O)C1=CC=CC=C1
Isomeric SMILES	C[C@@H](CC(=O)O)C1=CC=CC=C1
WGK Germany	3
PubChem CID	852991
Molecular Weight	164.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.200 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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