AG00ICKZ

7497-61-2 | Benzenepropanoic acid, b-hydroxy-, methyl ester

AG00ICKZ

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CAS Number	7497-61-2
Catalog Number	AG00ICKZ(AGN-PC-0U6I9A)
Chemical Name	Benzenepropanoic acid, b-hydroxy-, methyl ester
IUPAC Name	methyl 3-hydroxy-3-phenylpropanoate
InChI	InChI=1S/C10H12O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChI Key	VZHHCQFCDCJKIX-UHFFFAOYSA-N
MDL Number	MFCD19691249
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	406731
SMILES	OC(CC(=O)OC)C1=CC=CC=C1
Synonyms	Methyl 3-hydroxy-3-phenylpropanoate, 7497-61-2, 3-hydroxy-3-phenyl-propionic acid methyl ester, VZHHCQFCDCJKIX-UHFFFAOYSA-N, Methyl 3-hydroxy-3-phenylpropionate, NSC406731, AC1L888B, SCHEMBL3978916, CTK8J4733, (?)-Methyl 3-phenylhydracrylate, DTXSID20324437, methyl 3-phenyl-3-hydroxypropionate, Methyl 3-hydroxy-3-phenylpropanoate #, NSC-406731, (-)-methyl 3-phenyl-3-hydroxypropionate, beta-Hydroxybenzenepropionic acid methyl ester, Benzenepropanoic acid, b-hydroxy-, methyl ester, Benzenepropanoic acid, .beta.-hydroxy-, methyl ester, I14-85638, CID347841, (R)-Methyl 3-hydroxy-3-phenylpropanoate, (S)-Methyl 3-hydroxy-3-phenylpropanoate, 36615-45-9, 58692-70-9,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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