AG000UB9

130369-36-7 | Carbamic acid, N-(3-oxocyclobutyl)-, phenylmethyl ester

AG000UB9

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CAS Number	130369-36-7
Catalog Number	AG000UB9(AGN-PC-02K6YT)
Chemical Name	Carbamic acid, N-(3-oxocyclobutyl)-, phenylmethyl ester
IUPAC Name	benzyl N-(3-oxocyclobutyl)carbamate
InChI	InChI=1S/C12H13NO3/c14-11-6-10(7-11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
InChI Key	PSAMWNBBHLUISE-UHFFFAOYSA-N
MDL Number	MFCD13152267
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
SMILES	O=C1CC(C1)NC(OCC2=CC=CC=C2)=O
Synonyms	130369-36-7, Benzyl 3-oxocyclobutylcarbamate, BENZYL (3-OXOCYCLOBUTYL)CARBAMATE, benzyl N-(3-oxocyclobutyl)carbamate, 3-Z-Amino-cyclobutanone, N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanone, (3-Oxo-cyclobutyl)-carbamic acid benzyl ester, PubChem17639, KSC516M6T, SCHEMBL359650, Benzyl(3-oxocyclobutyl)carbamate, CTK4B6669, DTXSID50599999, PSAMWNBBHLUISE-UHFFFAOYSA-N, Benzyl (3-oxocyclobutyl);carbamate, ANW-50560, MFCD13152267, ZINC40443127, AKOS015855269, AN-3960, GS-4250, PB18034, QC-9689, RP05108, AC-25278, AK-38480, BC653852, BR-38480, CJ-20094, (3-Oxocyclobutyl)carbamic acid benzyl ester, AB0035431, AJ-102441, TC-063654, TC-139305, 4CH-008887, AM20020385, CS-0018923, FT-0733752, ST24030140, X9766, KS-00000365, S-6664, M112250, J-519793, I14-14896, Carbamic acid, N-(3-oxocyclobutyl)-, phenylmethyl ester, benzyl3-oxocyclobutylcarbamate, C12H13NO3, 3-Z-amino-cyclobutanone, 98% - 1G 1g,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.24g/mol
Monoisotopic Mass	219.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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