AG0033GH

459-31-4 | 3-(4-Fluorophenyl)propanoic acid

AG0033GH

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CAS Number	459-31-4
Catalog Number	AG0033GH(AGN-PC-0JMOS1)
Chemical Name	3-(4-Fluorophenyl)propanoic acid
IUPAC Name	3-(4-fluorophenyl)propanoic acid
InChI	InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key	ZMKXWDPUXLPHCA-UHFFFAOYSA-N
MDL Number	MFCD00060327
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
NSC Number	403021
SMILES	O=C(O)CCC1=CC=C(F)C=C1
Synonyms	3-(4-Fluorophenyl)propionic acid, 459-31-4, 3-(4-Fluorophenyl)propanoic acid, Benzenepropanoic acid, 4-fluoro-, 3-(4-fluoro-phenyl)-propionic acid, 3-(4-Fluorophenyl)propionicacid, ZMKXWDPUXLPHCA-UHFFFAOYSA-N, MFCD00060327, NSC403021, ACMC-1AEHU, 4-fluorohydrocinnamic acid, 4-fluorophenylpropionic acid, TimTec1_000950, 4-Fluorobenzenepropanoic acid, SCHEMBL193318, AC1L387F, AC1Q758K, Benzenepropanoic acid,4-fluoro-, CTK4I9008, KS-00000CIX, DTXSID50196644, 3-(4-fluorophenyl)proprionic acid, HMS1536L04, ZINC122509, 3-(4'-fluorophenyl)propanoic acid, 3-(4-fluoro-phenyl)propionic acid, 3-(4-fluorophenyl) propanoic acid, 3-(4-fluorophenyl) propionic acid, 3-(4-fluorophenyl)-propionic acid, 3-(4-Fluorophenyl)propionic acid-, ACN-S004180, BCP22469, 3-(para-Fluorophenyl)propionic acid, 3-(4-fluoro-phenyl)-propanoic-acid, 3-(4-Fluorophenyl)propanoic acid #, AM1009, ANW-30371, BBL025794, SBB017621, STK400099, AKOS000112346, AB02388, AC-7414, AN-9036, AS04666, CF-1106, MCULE-1294455319, MS-3533, NSC-403021, RL03716, TRA0078100, 3-(4-Fluorophenyl)propionic acid, 97%, 3-(4-Fluorophenyl)propionic acid, 98%, NCGC00174948-01, AJ-11801, AK-35254, SC-25794, ST012421, SY006122, AB0001007, DB-021660, ST2404773, TC-066382, BB 0217989, F0802, FT-0084130, FT-0613671, TL80090968, EN300-13001, MFCD00060327 (98%), B-3147, 459F314, I01-2768, J-510709, BRD-K02227966-001-01-2, F9995-0947, 3- propionicacid, 4-Fluorobenzyl cyanide, 2-iodo-4-methoxypyrimidine, C9H9FO2, CID136302, ACN-031381, 3-(4-Fluorophenyl)propionic acid, 97% - 1G 1g, 109384-19-2,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number