AG00C74E

3480-87-3 | Benzenepropanoic acid, β-​hydroxy-

AG00C74E

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CAS Number	3480-87-3
Catalog Number	AG00C74E(AGN-PC-0RA769)
Chemical Name	Benzenepropanoic acid, β-​hydroxy-
IUPAC Name	3-hydroxy-3-phenylpropanoic acid
InChI	InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChI Key	AYOLELPCNDVZKZ-UHFFFAOYSA-N
MDL Number	MFCD00137907
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	C(CC(=O)O)(O)c1ccccc1
Synonyms	3-hydroxy-3-phenylpropionic acid, beta-hydroxyphenylpropionic acid, 3-Hydroxy-3-phenylpropanoic acid, 3480-87-3, 3-hydroxy-3-phenyl-propionic acid, 3-Hydroxy-3-phenylpropionic acid, beta-Hydroxyphenylpropionic acid, AYOLELPCNDVZKZ-UHFFFAOYSA-N, 3-hydroxy-3-phenyl propionic acid, Oprea1_612432, NSC 16256, NSC 120422, PubChem13910, ACMC-20apf2, ACMC-20apk0, ACMC-1CQ4E, beta-Phenylhydracrylic acid, AC1L3P6Y, KSC896G9T, SCHEMBL186610, CHEBI:19929, CTK7J6399, KS-00000NMQ, 3-oxidanyl-3-phenyl-propanoic acid, ACT04412, NSC16256, 3-Hydroxy-3-phenylpropanoic acid #, Benzenepropanoic acid, beta-hydroxy-, Propanoic acid, 3-hydroxy-3-phenyl, ANW-27974, FD1325, MFCD00137907, NSC-16256, NSC120422, SBB063579, AKOS009158709, CS-W021936, GS-4068, LS11565, MCULE-3174091335, NSC-120422, RTC-071156, AC-23820, AK-46121, BC224119, BR-46121, SY017555, 3-HYDROXY-3-PHENYL-PROPANOIC ACID, AB0024378, DB-069077, ST2410724, TC-071156, 4CH-015583, FT-0652077, W5641, MFCD00137907 (95%), S-2832, A822414, I01-2224, J-019766, UNII-S2W4LWS09C, S2W4LWS09C, C9H10O3, CID92959, C9-H10-O3, (r)-3-hydroxy-3-phenylpropanoic acid, 3-HYDROXY-3-PHENYL-PROPIONICACID, (S)-3-HYDROXY-3-PHENYLPROPANOIC ACID, H1394, (R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID, 2768-42-5, 36567-72-3,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number