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88523-50-6 | Heptane, 2-isocyano-2-methyl-
CAS No: 88523-50-6 Catalog No: AG0048FN MDL No:
Product Description
Catalog Number:
AG0048FN
Chemical Name:
Heptane, 2-isocyano-2-methyl-
CAS Number:
88523-50-6
Molecular Formula:
C9H17N
Molecular Weight:
139.2380
IUPAC Name:
2-isocyano-2-methylheptane
InChI:
InChI=1S/C9H17N/c1-5-6-7-8-9(2,3)10-4/h5-8H2,1-3H3
InChI Key:
PXTNWVZRESNBKL-UHFFFAOYSA-N
SMILES:
CCCCCC([N+]#[C-])(C)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.242g/mol
Monoisotopic Mass:
139.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| A new disilene with π-accepting groups from the reaction of disilyne RSi≡SiR (R = Si(i)Pr[CH(SiMe3)2]) with isocyanides. | Journal of the American Chemical Society 20120215 |
| Brønsted acid catalyzed formal insertion of isocyanides into a C-O bond of acetals. | Journal of the American Chemical Society 20070919 |
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