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100134-82-5 | Carbamic acid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester
CAS No: 100134-82-5 Catalog No: AG000127 MDL No:MFCD10698635
Product Description
Catalog Number:
AG000127
Chemical Name:
Carbamic acid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester
CAS Number:
100134-82-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD10698635
IUPAC Name:
benzyl N-(2-cyanopropan-2-yl)carbamate
InChI:
InChI=1S/C12H14N2O2/c1-12(2,9-13)14-11(15)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChI Key:
DJQKBMUYZUEUBU-UHFFFAOYSA-N
SMILES:
N#CC(NC(=O)OCc1ccccc1)(C)C
EC Number:
600-032-0
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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