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176894-58-9 | Carbamic acid, N-[(1R)-1-cyanoethyl]-, phenylmethyl ester
CAS No: 176894-58-9 Catalog No: AG0024Y4 MDL No:
Product Description
Catalog Number:
AG0024Y4
Chemical Name:
Carbamic acid, N-[(1R)-1-cyanoethyl]-, phenylmethyl ester
CAS Number:
176894-58-9
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
benzyl N-[(1R)-1-cyanoethyl]carbamate
InChI:
InChI=1S/C11H12N2O2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m1/s1
InChI Key:
RKPTZVZVBGXQSI-SECBINFHSA-N
SMILES:
C[C@@H](NC(=O)OCc1ccccc1)C#N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
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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