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122093-49-6 | Heptane, 1-isocyanato-2,6-dimethyl-, (2R)-
CAS No: 122093-49-6 Catalog No: AG0016QJ MDL No:
Product Description
Catalog Number:
AG0016QJ
Chemical Name:
Heptane, 1-isocyanato-2,6-dimethyl-, (2R)-
CAS Number:
122093-49-6
Molecular Formula:
C10H19NO
Molecular Weight:
169.2640
IUPAC Name:
1-isocyanato-2,6-dimethylheptane
InChI:
InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-11-8-12/h9-10H,4-7H2,1-3H3
InChI Key:
PPMXQNULSMCAFF-UHFFFAOYSA-N
SMILES:
O=C=NC[C@@H](CCCC(C)C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.147g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.268g/mol
Monoisotopic Mass:
169.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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