AG003BA4

458-45-7 | 3-(3-Fluorophenyl)propionic acid

AG003BA4

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CAS Number	458-45-7
Catalog Number	AG003BA4(AGN-PC-0WA7B3)
Chemical Name	3-(3-Fluorophenyl)propionic acid
IUPAC Name	3-(3-fluorophenyl)propanoic acid
InChI	InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key	UBLMRADOKLXLCD-UHFFFAOYSA-N
MDL Number	MFCD01310821
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(O)CCC1=CC=CC(F)=C1
Synonyms	3-(3-Fluorophenyl)propionic acid, 458-45-7, 3-(3-fluorophenyl)propanoic acid, 3-Fluorohydrocinnamic acid, 3-(3-Fluoro-phenyl)-propionic acid, 3-Fluorophenylpropionic acid, MFCD01310821, ZERO/004851, PubChem13947, AC1MC7DZ, ACMC-209k4f, 3-Fluorobenzenepropanoic acid, SCHEMBL334758, AC1Q758V, Benzenepropanoic acid,3-fluoro-, CTK4I8973, KS-00000FRO, DTXSID20372094, UBLMRADOKLXLCD-UHFFFAOYSA-N, 3-(3-Fluorophenyl) propionic acid, AC1Q7585, ZINC2574332, ANW-30349, GEO-01431, SBB010231, STK689316, 3-FLUORO-BENZENEPROPANOIC ACID, AKOS000206785, AB08454, CF-1096, MCULE-7735397189, PS-6446, RP17415, RTC-066384, TRA0003629, VZ25978, 3-(3-Fluorophenyl)propionic acid, 97%, AC-14115, AJ-42242, AK-43261, AN-45051, BAS 12820389, SC-54326, SY017727, AB0000726, AB1010842, DB-021628, ST2404731, ST4131786, TC-066384, 4CH-018335, AM20040514, BB 0217990, F0779, FT-0084132, FT-0632160, EN300-24320, MFCD01310821 (95%), C-5880, 458F457, A826905, I14-5759, W-200381, Z188924506, A4135/0176340, 3- propionicacid, 3-Fluorocinnamic acid, C9H9FO2, ACN-031393, CID2737489, BENZENEPROPANOIC ACID, 3-FLUORO-, 3-(3-Fluorophenyl)propionic acid, 97% - 1G 1g, 458-46-8, 1052544-92-9, 1092064-04-4,

Complexity	159
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	1.8

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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