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88149-07-9 | Carbamic acid, (3-amino-2-oxo-3-azetidinyl)-, phenylmethyl ester
CAS No: 88149-07-9 Catalog No: AG004D3K MDL No:
Product Description
Catalog Number:
AG004D3K
Chemical Name:
Carbamic acid, (3-amino-2-oxo-3-azetidinyl)-, phenylmethyl ester
CAS Number:
88149-07-9
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
benzyl N-(3-amino-2-oxoazetidin-3-yl)carbamate
InChI:
InChI=1S/C11H13N3O3/c12-11(7-13-9(11)15)14-10(16)17-6-8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,15)(H,14,16)
InChI Key:
KTIMKEUFSVJXGB-UHFFFAOYSA-N
SMILES:
O=C(NC1(N)CNC1=O)OCc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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