AG003UGC

103-40-2 | 4-(Benzyloxy)-4-oxobutanoic acid

AG003UGC

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CAS Number	103-40-2
Catalog Number	AG003UGC(AGN-PC-0L9EXN)
Chemical Name	4-(Benzyloxy)-4-oxobutanoic acid
EC Number	203-108-8
IUPAC Name	4-oxo-4-phenylmethoxybutanoic acid
InChI	InChI=1S/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChI Key	UGUBQKZSNQWWEV-UHFFFAOYSA-N
MDL Number	MFCD00447717
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	C(OC(=O)CCC(=O)O)c1ccccc1
UNII	R1X1431M4O
Synonyms	benzylsuccinate, 4-(benzyloxy)-4-oxobutanoic acid, 103-40-2, Succinic acid monobenzyl ester, Succinicacidmonobenzylester, Benzyl hydrogen succinate, UNII-R1X1431M4O, R1X1431M4O, 3-(benzyloxycarbonyl)propanoic acid, AK139269, A1-00323, 3-[benzyloxycarbonyl]propanoic acid, benzyl monosuccinate, EINECS 203-108-8, Bernsteinsaurebenzylester, AC1Q5VSN, Mono-O-benzylsuccinic acid, AC1L1RP7, TimTec1_000712, Oprea1_483381, CBDivE_001020, SCHEMBL827012, Butanedioic acid monobenzylester, CHEMBL317543, Succinic acid mono benzyl ester, succinic acid mono-benzyl ester, beta-carbobenzyloxypropionic acid, 3-benzyloxycarbonylpropionic acid, CTK4A2053, KS-00000CUO, ZINC61540, Butanedioic Acid Monobenzyl Ester, DTXSID20145609, UGUBQKZSNQWWEV-UHFFFAOYSA-N, HMS1536A08, 4-oxo-4-phenylmethoxybutanoic acid, 7341AJ, MFCD00447717, AKOS002138205, CS-W002611, FCH1685238, MCULE-1536657444, TRA0004326, Butanedioic acid,1-(phenylmethyl) ester, NCGC00175200-01, NCGC00175200-02, AJ-09943, AS-10505, DA-14352, DA-16100, OR313009, ST010201, SY022564, AB0063291, AX8040207, TC-250009, EU-0033205, FT-0753199, ST24043033, Z-4721, AB01330291-02, MFCD00447717 (97+%), SR-01000596908, SR-01000596908-1, BRD-K21365384-001-01-1, Benzylsuccinate, Benzyl succinate, monobenzyl succinate, C11H12O4, CID8788, AR-1F6668, C11-H12-O4, Succinic acid monobenzyl ester - 10MG 10mg, Succinic acid, monobenzyl ester, sodium salt, A13967, 14174-08-4, 121148-97-8,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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