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Home > Nitro Compounds > 16067-02-0
16067-02-0 | 2-Octadecanone, 1-nitro-
CAS No: 16067-02-0 Catalog No: AG001S4J MDL No:
Product Description
Catalog Number:
AG001S4J
Chemical Name:
2-Octadecanone, 1-nitro-
CAS Number:
16067-02-0
Molecular Formula:
C18H35NO3
Molecular Weight:
313.4754
IUPAC Name:
1-nitrooctadecan-2-one
InChI:
InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22/h2-17H2,1H3
InChI Key:
KSKAAWWXZLIZNI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(=O)C[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.262g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.482g/mol
Monoisotopic Mass:
313.262g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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