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1159735-22-4 | Carbamic acid, N-(1-cyanocyclopropyl)-, phenylmethyl ester
CAS No: 1159735-22-4 Catalog No: AG000H8U MDL No:MFCD16660146
Product Description
Catalog Number:
AG000H8U
Chemical Name:
Carbamic acid, N-(1-cyanocyclopropyl)-, phenylmethyl ester
CAS Number:
1159735-22-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD16660146
IUPAC Name:
benzyl N-(1-cyanocyclopropyl)carbamate
InChI:
InChI=1S/C12H12N2O2/c13-9-12(6-7-12)14-11(15)16-8-10-4-2-1-3-5-10/h1-5H,6-8H2,(H,14,15)
InChI Key:
OKPPFSCYFICDPU-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)NC(=O)OCc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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