AG00E907

6099-04-3 | 3-Methoxycinnamic acid

AG00E907

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CAS Number	6099-04-3
Catalog Number	AG00E907(AGN-PC-0JLWM1)
Chemical Name	3-Methoxycinnamic acid
EC Number	228-049-5
IUPAC Name	(E)-3-(3-methoxyphenyl)prop-2-enoic acid
InChI	InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChI Key	LZPNXAULYJPXEH-AATRIKPKSA-N
MDL Number	MFCD00004386
Molecular Formula	C10H10O3
Molecular Weight	178.1846
NSC Number	5234
SMILES	O=C(O)/C=C/C1=CC=CC(OC)=C1
Synonyms	3-Methoxycinnamic acid, 6099-04-3, 3-(3-Methoxyphenyl)acrylic acid, 17570-26-2, m-Methoxycinnamic acid, (2E)-3-(3-methoxyphenyl)acrylic acid, (2E)-3-(3-methoxyphenyl)prop-2-enoic acid, trans-3-Methoxycinnamic acid, trans-3-(3-Methoxyphenyl)acrylic acid, LZPNXAULYJPXEH-AATRIKPKSA-N, MFCD00004386, 2-Propenoic acid, 3-(3-methoxyphenyl)-, (2E)-, (E)-3-(3-Methoxyphenyl)acrylic acid, 3-(3-methoxyphenyl)prop-2-enoic acid, 2-Propenoic acid,3-(3-methoxyphenyl)-, (2E)-, trans-m-Methoxycinnamic acid, Cinnamic acid, m-methoxy-, (E)-, PubChem8229, AC1LCUQ5, AC1Q4DWF, O-Methyl-m-cumaric Acid, Cinnamic acid, m-methoxy-, AC1Q5T8Z, Cinnamic acid, 3-methoxy-, 3-Methoxybenzeneacrylic acid, (E)-3-methoxycinnamic acid, SCHEMBL80786, CHEMBL95769, trans-3-methoxy-cinnamic acid, 3-Methoxycinnamic acid, 97%, ZINC74801, NSC5234, HMS1538H06, ALBB-006022, NSC-5234, EINECS 228-049-5, BBL019132, E-3-(3-methoxyphenyl)propenoic acid, HTS001423, SBB042486, STK398162, AKOS000120394, PS-5776, RTR-021012, (E)-3-(3-methoxyphenyl) acrylic acid, NCGC00174293-01, (E)-3-(3-Methoxy-phenyl)-acrylic acid, AJ-10339, AK-65183, SC-80812, ST023772, (E)-3-(3-methoxyphenyl)prop-2-enoic acid, 3-Methoxycinnamic Acid, Predominantly trans, AB1003198, ST2404737, TR-007994, TR-021012, 4CH-018206, M0444, M-2656, Propenoic acid, 3-(3-methoxyphenyl)-, trans-, (2E)-3-(3-Methoxyphenyl)-2-propenoic acid #, AE-848/02128047, 055FCE22-12AE-47AE-BB4F-BF75F6AECF94, I01-3633, I04-5079, W-105215, 3-Methoxycinnamicacid, O-Methyl-m-coumaric Acid, 6-Phthalimido-1-hexyne, C10H10O3, AR-1E6643, CID637668, MFCD00671372, 2-Propenoic acid, 3-(3-methoxyphenyl)-, 2-Propenoic acid, 3-(3-methoxyphenyl)-, (E)-, 6283-08-5,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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