AG007VKP

107859-98-3 | 3-(4-HYDROXYMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER

AG007VKP

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CAS Number	107859-98-3
Catalog Number	AG007VKP(AGN-PC-002QKA)
Chemical Name	3-(4-HYDROXYMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER
IUPAC Name	ethyl 3-[4-(hydroxymethyl)phenyl]propanoate
InChI	InChI=1S/C12H16O3/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-6,13H,2,7-9H2,1H3
InChI Key	KAOHDELIEPQEBZ-UHFFFAOYSA-N
MDL Number	MFCD09028871
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	O=C(OCC)CCC1=CC=C(CO)C=C1
Synonyms	107859-98-3, Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate, Ethyl 3-[4-(Hydroxymethyl)phenyl]propionate, 3-(4-HYDROXYMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER, Benzenepropanoic acid,4-(hydroxymethyl)-, ethyl ester, ethyl 3-[4-(hydroxymethyl)phenyl]propanoate, ACMC-1C83M, SCHEMBL4889211, CTK4A5745, DTXSID30564589, KAOHDELIEPQEBZ-UHFFFAOYSA-N, MFCD09028871, ZINC34382590, AKOS026673948, AS06897, DS-9914, KS-0000094A, AK198688, SY046032, Ethyl3-[4-(Hydroxymethyl)phenyl]propionate, MFCD09028871 (95%), 3-(4-Hydroxymethylphenyl)propionic acid ethyl ester, Benzenepropanoic acid, 4-(hydroxymethyl)-, ethyl ester,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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