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13947-76-7 | Butane, 2-isocyano-2-methyl-
CAS No: 13947-76-7 Catalog No: AG001B2V MDL No:
Product Description
Catalog Number:
AG001B2V
Chemical Name:
Butane, 2-isocyano-2-methyl-
CAS Number:
13947-76-7
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
IUPAC Name:
2-isocyano-2-methylbutane
InChI:
InChI=1S/C6H11N/c1-5-6(2,3)7-4/h5H2,1-3H3
InChI Key:
ZANHUOZJSFYTKD-UHFFFAOYSA-N
SMILES:
CCC([N+]#[C-])(C)C
Properties
Complexity:
94
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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