AG00BCDB

28166-41-8 | 2-Cyano-3-(4-hydroxyphenyl);acrylic acid

AG00BCDB

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CAS Number	28166-41-8
Catalog Number	AG00BCDB(AGN-PC-0JK64C)
Chemical Name	2-Cyano-3-(4-hydroxyphenyl);acrylic acid
EC Number	248-879-1
IUPAC Name	(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI	InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+
InChI Key	AFVLVVWMAFSXCK-VMPITWQZSA-N
MDL Number	MFCD00004204
Molecular Formula	C10H7NO3
Molecular Weight	189.1675
SMILES	C(=C(C(=O)O)C#N)c1ccc(cc1)O
Synonyms	2-cyano-4-hydroxycinnamate, 4-hydroxy-alpha-cyanocinnamate, alpha-cyano-4-hydroxycinnamate, alpha-cyano-4-hydroxycinnamic acid, alpha-cyano-4-hydroxycinnamic acid, 28166-41-8, alpha-Cyano, 2-Cyano-3-(4-hydroxyphenyl)acrylic acid, CHCA, alpha-CHCA, (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid, ACCA, 4-HCCA, CHEBI:64340, AFVLVVWMAFSXCK-VMPITWQZSA-N, MFCD00004204, (E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid, 1-carboxy-1-cyano-2-(4-hydroxyphenyl)ethylene, (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid, alpha-CCA, 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, AC1NS5CM, AC1Q4QEL, Spectrum5_001633, AC1Q71LE, SCHEMBL26825, BSPBio_002260, MLS002207285, CHEMBL76602, BDBM4350, HMS500K21, ZINC155109, BBL103553, CCG-39475, GEO-00838, s8612, SBB057160, STL557363, .alpha.-Cyano-4-hydroxycinnamic acid, AKOS000145566, IDI1_000219, NCGC00094622-01, NCGC00094622-02, alpha-Cyano-4-hydroxybenzenepropenoic acid, alpha-Cyano-4-hydroxycinnamic acid, 97%, alpha-Cyano-4-hydroxycinnamic acid, 99%, benzylidenemalononitrile (BMN) deriv. 34, SMR001306800, ST50997515, 2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid, A819766, (E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoic acid, BRD-K60302405-001-02-9, BRD-K60302405-001-04-5, (2E)-2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid #, alpha-Cyano-4-hydroxycinnamic acid, >=98% (TLC), powder, alpha-Cyano-4-hydroxycinnamic acid, purum, >=99.0% (HPLC), alpha-Cyano-4-hydroxycinnamic acid, suitable for MALDI-TOF MS, alpha-Cyano-4-hydroxycinnamic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), alpha-Cyano-4-hydroxycinnamic acid, matrix substance for MALDI-MS, Ultra pure, |A-CHCA, Spectrum_001499, a-Cyano-4-hydroxycinnamic acid, |A-CCA, |A-Cyano-4-hydroxycinnamic acid, alpha-Cyano-4-hydroxycinnamate, C10H7NO3, C10-H7-N-O3, EINECS 248-879-1, AR-1E0822, |A-cyano-4-hydroxycinnamic acid(|A-, ACN-054148, CID5328791, NSC 173138, |A-cyano-4-hydroxycinnamic acid(|A-CHCA), A13372, alpha-Cyano-4-hydroxycinnamic acid, 98% - 1G 1g, alpha-Cyano-4-hydroxycinnamic acid, 99% - 10G 10g, CHC, 122520-77-8, 29103-58-0,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	189.043g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.17g/mol
Monoisotopic Mass	189.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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