AG002Z30

29678-81-7 | Benzenebutanoic acid, α-hydroxy-, (αR)-

AG002Z30

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CAS Number	29678-81-7
Catalog Number	AG002Z30(AGN-PC-0R569G)
Chemical Name	Benzenebutanoic acid, α-hydroxy-, (αR)-
EC Number	608-394-1
IUPAC Name	(2R)-2-hydroxy-4-phenylbutanoic acid
InChI	InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
InChI Key	JNJCEALGCZSIGB-SECBINFHSA-N
MDL Number	MFCD00192219
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	[C@H](O)(C(=O)O)CCC1=CC=CC=C1
Synonyms	(R)-2-hydroxy-4-phenylbutyric acid, 2-HPBA, 2-hydroxy-4-phenylbutanoate, 2-hydroxy-4-phenylbutyrate, 2-hydroxy-4-phenylbutyric acid, (R)-2-Hydroxy-4-phenylbutyric acid, 29678-81-7, (R)-2-hydroxy-4-phenylbutanoic acid, (R)-(-)-2-Hydroxy-4-phenylbutyric acid, (2R)-2-hydroxy-4-phenylbutanoic acid, MFCD00192219, R-(-)-2-Hydroxy-4-phenylbutyric acid, 267013-77-4, AK-34569, PubChem5687, AC1MC05S, SCHEMBL233440, AC1Q59Q5, Jsp005621, CTK4F8369, JNJCEALGCZSIGB-SECBINFHSA-N, ZINC395615, ZX-RL005768, (2R)-hydroxy-4-phenylbutanoic acid, 2(R)-hydroxy-4-phenylbutanoic acid, ANW-26676, CH-073, AKOS015855449, (R)-2-hydroxy-4-phenyl butanoic acid, AC-6643, ACM267013774, AJ-21538, BR-34569, CC-01079, DS-12571, N144, OR307154, SC-44640, (R)-2-Hydroxy-4-phenylbutyric acid, 99%, AB0015575, AX8012035, DB-018119, TL8002311, TR-012855, (R)-(-)-2-Hydroxy-4-phenyl-Mutyric Acid, AM20060598, CS-0030811, FT-0082947, FT-0638874, ST24032079, 78H817, N-1121, S-1822, Benzenebutanoic acid, alpha-hydroxy-, (alphaR)-, C-06687, I04-0941, J-017597, UNII-ZSP7I554Q9 component JNJCEALGCZSIGB-SECBINFHSA-N, -2-Hydroxy-4-phenylbutyricacid, 2-Hydroxy-4-phenylbutyric acid, (r)-2-hydroxy-4-phenylbutyricacid, C10H12O3, NSC55316, (R)-2-Hydroxy-4-phenylbutanoicAcid, (r)-2-hydroxy-4-phenyl butyric acid, ACN-031594, CB11648, CID2759328, H1338,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	2
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number