AG003I4B

366-77-8 | 3-(4-Fluorobenzoyl)propionic acid

AG003I4B

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CAS Number	366-77-8
Catalog Number	AG003I4B(AGN-PC-0JLCRA)
Chemical Name	3-(4-Fluorobenzoyl)propionic acid
EC Number	206-679-1
IUPAC Name	4-(4-fluorophenyl)-4-oxobutanoic acid
InChI	InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key	WUYWHIAAQYQKPP-UHFFFAOYSA-N
MDL Number	MFCD00002793
Molecular Formula	C10H9FO3
Molecular Weight	196.1751
NSC Number	408180
SMILES	C1=C(C(CCC(O)=O)=O)C=CC(=C1)F
UNII	V2Z6N6JC9Z
Synonyms	(18F)-beta-(4-fluorobenzoyl)propionic acid, 4-FBPA, beta-(4-fluorobenzoyl)propionic acid, 3-(4-Fluorobenzoyl)propionic acid, 366-77-8, 4-(4-Fluorophenyl)-4-oxobutanoic acid, UNII-V2Z6N6JC9Z, 3-(4-Fluorobenzoyl)propanoic acid, 3-(4-Fluorobenzoyl) propionic acid, beta-(4-Fluorobenzoyl)propionic acid, Haloperidol metabolite III, 4-(4-Fluorophenyl)-4-oxobutyric acid, V2Z6N6JC9Z, 3-(p-fluorobenzoyl)propionic acid, WUYWHIAAQYQKPP-UHFFFAOYSA-N, 3-(p-Fluorobenzoyl)-propionic acid, MFCD00002793, 4-(4-fluorophenyl)-4-oxo-butanoic acid, 4-(4-FLUORO-PHENYL)-4-OXO-BUTYRIC ACID, R 11302, Maybridge1_000099, EINECS 206-679-1, NSC 408180, PubChem3484, ACMC-209iny, Benzenebutanoic acid, 4-fluoro-.gamma.-oxo-, AC1L2QO7, MixCom1_000187, KSC223Q6T, SCHEMBL315309, AC1Q5E78, AC1Q754S, Jsp006519, CHEMBL3544869, CTK1C3869, KS-00000CLI, TIMTEC-BB SBB042480, DTXSID30190084, 3-(4-Fluorobenzoyl)propionicAcid, OTAVA-BB 1043517, ZINC128838, 3-(4-Fluorobenzoyl]propionic?acid, beta-p-fluorobenzoyl-propionic acid, ALBB-005979, BCP22268, 3-(4-fluorobenzoyl)-propionic acid, AKOS BBS-00006441, AB3821, ANW-28460, BBL008682, CCG-47698, NSC408180, SBB042480, STK503651, 4-fluoro-gamma-oxobenzenebutanoic acid, AKOS000119372, AB00270, AS01281, BS-4084, CS-W010603, MCULE-5194103569, NSC-408180, TRA0014368, VZ26014, NCGC00342071-01, 3-(4-Fluorobenzoyl)propionic acid, 97%, AJ-12030, AK-46792, AN-21861, AN-44553, BR-46792, L569, SY008025, 4-(4-Fluorophenyl)-4-oxobutanoic acid #, Benzenebutanoic acid, 4-fluoro-gamma-oxo-, 3-(4'-FLUOROBENZOYL)PROPIONIC ACID, AB0014778, DB-021657, ST2410360, TL8002700, TR-014983, AM20061180, EU-0099945, F0379, FT-0613662, ST50114953, AZ0001-0152, C-4787, AB01314400-03, MFCD00002793 (97+%), SR-01000597214, I01-2088, SR-01000597214-1, SR-01000597214-2, W-106599, Z57984615, 5-[5-(azepan-1-ylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-1,2-dimethyl-N-[(5-methyl-2-furyl)methyl]-1H-pyrrole-3-sulfonamide, C10H9FO3, 3-(4-Fluorobenzoyl]propionic, |A-(4-fluorobenzoyl)propionic acid, C10-H9-F-O3, AR-1L8610, CID101359, 3-(4-Fluorobenzoyl)propionic acid, 98% 5g, 3-(4-Fluorobenzoyl)propionic acid, 97% - 25G 25g, 3819-18-9,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.177g/mol
Monoisotopic Mass	196.054g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

Lot Number