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88149-05-7 | Carbamic acid, [3-(methylthio)-2-oxo-3-azetidinyl]-, phenylmethyl ester
CAS No: 88149-05-7 Catalog No: AG004G99 MDL No:
Product Description
Catalog Number:
AG004G99
Chemical Name:
Carbamic acid, [3-(methylthio)-2-oxo-3-azetidinyl]-, phenylmethyl ester
CAS Number:
88149-05-7
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
IUPAC Name:
benzyl N-(3-methylsulfanyl-2-oxoazetidin-3-yl)carbamate
InChI:
InChI=1S/C12H14N2O3S/c1-18-12(8-13-10(12)15)14-11(16)17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)(H,14,16)
InChI Key:
ZDJPNMWTGXQPLN-UHFFFAOYSA-N
SMILES:
CSC1(CNC1=O)NC(=O)OCc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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