AG00FEQF

7362-39-2 | p-Coumaric Acid Ethyl Ester

AG00FEQF

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CAS Number	7362-39-2
Catalog Number	AG00FEQF(AGN-PC-0OHBDC)
Chemical Name	p-Coumaric Acid Ethyl Ester
IUPAC Name	ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
InChI	InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
InChI Key	ZOQCEVXVQCPESC-VMPITWQZSA-N
MDL Number	MFCD00210460
Molecular Formula	C11H12O3
Molecular Weight	192.2112
NSC Number	408777
SMILES	CCOC(=O)C=CC1=CC=C(O)C=C1
Synonyms	ethyl coumarate, 7362-39-2, (E)-Ethyl 3-(4-hydroxyphenyl)acrylate, p-Coumaric acid ethyl ester, Ethyl coumarate, Ethyl p-Coumarate, p-hydroxyl ethyl cinnamate, 2979-06-8, CHEMBL2074640, ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, ZOQCEVXVQCPESC-VMPITWQZSA-N, ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 3-(4-hydroxyphenyl)-, ethyl ester, (2E)-, ethyl 3-(4-hydroxyphenyl)prop-2-enoate, AK104398, p-Hydroxycinnamic acid, ethyl ester, AC1LDXOJ, ethyl p-hydroxycinnamate, ethyl (E)-p-hydroxycinnamate, ethyl (E)-4-hydroxycinnamate, AC1Q647T, SCHEMBL1341910, ZINC40395, 4-Hydroxycinnamic acid ethyl ester, trans-p-Coumaric acid, ethyl ester, BDBM50428388, MFCD00210460, NSC408777, AKOS005108054, ACN-051206, MS-2009, NSC-408777, AJ-08943, BBV-42866484, CJ-00268, AX8235937, TC-158265, ST24035080, W2123, Z3714, Ethyl (2E)-3-(4-hydroxyphenyl)-2-propenoate #, 2-Propenoic acid,3-(2-hydroxyphenyl)-,ethyl ester, I01-8170, 2-Propenoic acid, 3-(4-hydroxyphenyl)-, ethyl ester, ethyl 4-hydroxycinnamate, Ethyl 3-(4-hydroxyphenyl)acrylate, C11H12O3, CID676946, (E)-Ethyl3-(4-hydroxyphenyl)acrylate, ACN-035366, 17041-46-2,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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