AG00E8PA

63177-57-1 | Methyl 2,5-Dihydroxycinnamate

AG00E8PA

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CAS Number	63177-57-1
Catalog Number	AG00E8PA(AGN-PC-0JK6HW)
Chemical Name	Methyl 2,5-Dihydroxycinnamate
IUPAC Name	methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
InChI	InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChI Key	BQCNSTFWSKOWMA-GORDUTHDSA-N
MDL Number	MFCD00132932
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(OC)/C=C/C1=CC(O)=CC=C1O
Synonyms	2,4-dihydroxymethylcinnamate, 2,5-dihydroxycinnamic acid methyl ester, methyl 2,5-dihydroxycinnamate, Methyl 2,5-dihydroxycinnamate, 63177-57-1, erbstatin analog, methyl 3-(2,5-dihydroxyphenyl)acrylate, 2,5-Dihydroxycinnamic acid methyl ester, 2,4-Dihydroxymethylcinnamate, 2,5-Dihydroxymethylcinnamate, CHEMBL17329, CHEBI:84089, Methyl 3-(2,5-dihydroxyphenyl)-2-propenoate, MFCD00132932, 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, methyl ester, (E)-methyl 3-(2,5-dihydroxyphenyl)acrylate, methyl (E)-3-(2,5-dihydroxyphenyl)acrylate, methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate, methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate, methyl 3-(2,5-dihydroxyphenyl)prop-2-enoate, methyl grevillate, AC1NS4DB, BiomolKI_000061, BiomolKI2_000067, 2-Propenoic acid,3-(2,5-dihydroxyphenyl)-, methyl ester, BMK1-G1, Methyl 2,5-dihydoxycinnamate, methyl-2,5-dihydroxycinnamate, SCHEMBL343784, CHEBI:93543, BQCNSTFWSKOWMA-GORDUTHDSA-N, HMS3675G10, ZINC2504592, 1850AH, BDBM50025624, FCH839657, HSCI1_000370, AKOS006271583, CCG-100665, FCH3703560, VZ22771, SMP2_000107, NCGC00024661-02, AK162178, CC-07788, methyl 3-(2',5'dihydroxyphenyl)acrylate, AX8000057, LS-176296, B6358, ST24047762, 2,5-Dihydroxybenzeneacrylic acid methyl ester, 2,5-Dihydroxymethylcinnamate; Erbstatin Analog, K00021, Methyl (2E)-3-(2,5-dihydroxyphenyl)acrylate, A834253, SR-01000597715, SR-01000597715-1, BRD-K35573744-001-02-7, BRD-K88741031-001-01-0, methyl (E)-3-[2,5-bis(oxidanyl)phenyl]prop-2-enoate, (E)-3-(2,5-dihydroxyphenyl)-2-propenoic acid methyl ester, 2,5-Dihydroxycinnamic acid methyl ester, >=95%, crystalline, C10H10O4, METHYL2,5-DIHYDROXYCINNAMATE, C10-H10-O4, CID5353609, C067472, 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, methyl ester, (2E)-, 123064-80-2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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