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18877-96-8 | Carbamic acid, N-(2-cyanoethyl)-, phenylmethyl ester
CAS No: 18877-96-8 Catalog No: AG002HA5 MDL No:
Product Description
Catalog Number:
AG002HA5
Chemical Name:
Carbamic acid, N-(2-cyanoethyl)-, phenylmethyl ester
CAS Number:
18877-96-8
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
benzyl N-(2-cyanoethyl)carbamate
InChI:
InChI=1S/C11H12N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,13,14)
InChI Key:
KTPATXCSHZCTMY-UHFFFAOYSA-N
SMILES:
N#CCCNC(=O)OCc1ccccc1
NSC Number:
95467
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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