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1303968-12-8 | Carbamic acid, N-(4-cyanocyclohexyl)-, 1,1-dimethylethyl ester
CAS No: 1303968-12-8 Catalog No: AG000UCX MDL No:
Product Description
Catalog Number:
AG000UCX
Chemical Name:
Carbamic acid, N-(4-cyanocyclohexyl)-, 1,1-dimethylethyl ester
CAS Number:
1303968-12-8
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
tert-butyl N-(4-cyanocyclohexyl)carbamate
InChI:
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-7H2,1-3H3,(H,14,15)
InChI Key:
QHZJRHRMFIDRFL-UHFFFAOYSA-N
SMILES:
N#CC1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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