AG003CMX

72776-05-7 | (S)-Benzyl 4-oxoazetidine-2-carboxylate

AG003CMX

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CAS Number	72776-05-7
Catalog Number	AG003CMX(AGN-PC-0OH6CX)
Chemical Name	(S)-Benzyl 4-oxoazetidine-2-carboxylate
IUPAC Name	benzyl (2S)-4-oxoazetidine-2-carboxylate
InChI	InChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
InChI Key	WGLLBHSIXLWVFU-VIFPVBQESA-N
MDL Number	MFCD00798164
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C([C@H](C1)NC1=O)OCC2=CC=CC=C2
Synonyms	72776-05-7, (S)-benzyl 4-oxoazetidine-2-carboxylate, (S)-Benzyl 2-azetidinone-4-carboxylate, benzyl (2S)-4-oxoazetidine-2-carboxylate, Benzyl (S)-4-oxo-2-azetidinecarboxylate, Benzyl (S)-(-)-4-oxo-2-azetidinecarboxylate, 2-Azetidinecarboxylic acid, 4-oxo-, phenylmethyl ester, (2S)-, phenylmethyl (2S)-4-oxoazetidine-2-carboxylate, PubChem8706, (S)-benzyl4-oxoazetidine-2-carboxylate, AC1LESI8, BENZYL (S)-4-OXOAZETIDINE-2-CARBOXYLATE, SCHEMBL6866934, CTK8B7519, DTXSID50352046, WGLLBHSIXLWVFU-VIFPVBQESA-N, ZINC115795, ACT03869, EBD29054, KS-000006BY, 1296AC, ANW-57548, MFCD00798164, SBB067604, AKOS000280692, AKOS005259568, AC-7731, AN-8670, CB-2103, FCH3422888, (s)-4-(benzyloxycarbonyl)-2-azetidinone, AJ-11500, AK-77736, SC-43431, ZB003883, (S)-benzyl 4-oxo-2-azetidine-carboxylate, AX8049135, TC-064544, A9441, AM20041085, CS-0038817, FT-0653364, ST50306881, 776B057, (2S)-4-Oxo-2-azetidinecarboxylic acid benzyl ester, I14-4398, Benzyl (S)-(-)-4-oxo-2-azetidinecarboxylate, 97%, C11H11NO3, CID717310, ZINC00115792, ACN-054537, CB10429, CB10976, -BENZYL2-AZETIDINONE-4-CARBOXYLATE, benzyl (2R)-4-oxoazetidine-2-carboxylate, 95729-87-6,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number