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114856-91-6 | Carbamic acid, N-(1,1-dimethyl-2-oxoethyl)-, phenylmethyl ester
CAS No: 114856-91-6 Catalog No: AG000FC8 MDL No:
Product Description
Catalog Number:
AG000FC8
Chemical Name:
Carbamic acid, N-(1,1-dimethyl-2-oxoethyl)-, phenylmethyl ester
CAS Number:
114856-91-6
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
benzyl N-(2-methyl-1-oxopropan-2-yl)carbamate
InChI:
InChI=1S/C12H15NO3/c1-12(2,9-14)13-11(15)16-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)
InChI Key:
DNFWFQPRWSKKDA-UHFFFAOYSA-N
SMILES:
O=CC(NC(=O)OCc1ccccc1)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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