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1612-71-1 | Butane, 2-isocyanato-2-methyl-
CAS No: 1612-71-1 Catalog No: AG001S99 MDL No:MFCD16844774
Product Description
Catalog Number:
AG001S99
Chemical Name:
Butane, 2-isocyanato-2-methyl-
CAS Number:
1612-71-1
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD16844774
IUPAC Name:
2-isocyanato-2-methylbutane
InChI:
InChI=1S/C6H11NO/c1-4-6(2,3)7-5-8/h4H2,1-3H3
InChI Key:
XTCXPTOMXXOPLA-UHFFFAOYSA-N
SMILES:
CCC(N=C=O)(C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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