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133117-97-2 | Carbamic acid, (1-cyano-1-methylethyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 133117-97-2 Catalog No: AG0014AL MDL No:MFCD12791990
Product Description
Catalog Number:
AG0014AL
Chemical Name:
Carbamic acid, (1-cyano-1-methylethyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
133117-97-2
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
MDL Number:
MFCD12791990
IUPAC Name:
tert-butyl N-(2-cyanopropan-2-yl)carbamate
InChI:
InChI=1S/C9H16N2O2/c1-8(2,3)13-7(12)11-9(4,5)6-10/h1-5H3,(H,11,12)
InChI Key:
GIGXCVOTKUOLHM-UHFFFAOYSA-N
SMILES:
N#CC(NC(=O)OC(C)(C)C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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