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15592-29-7 | Propane, 1-isocyanato-2,2-dimethyl-
CAS No: 15592-29-7 Catalog No: AG001ODA MDL No:MFCD09941369
Product Description
Catalog Number:
AG001ODA
Chemical Name:
Propane, 1-isocyanato-2,2-dimethyl-
CAS Number:
15592-29-7
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD09941369
IUPAC Name:
1-isocyanato-2,2-dimethylpropane
InChI:
InChI=1S/C6H11NO/c1-6(2,3)4-7-5-8/h4H2,1-3H3
InChI Key:
USXSCBCCYNVIPN-UHFFFAOYSA-N
SMILES:
O=C=NCC(C)(C)C
EC Number:
239-660-1
Properties
Complexity:
106
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:
2.7
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