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Home > Nitro Compounds > 13291-54-8
13291-54-8 | 2-Hexadecanone, 1-nitro-
CAS No: 13291-54-8 Catalog No: AG0011DL MDL No:
Product Description
Catalog Number:
AG0011DL
Chemical Name:
2-Hexadecanone, 1-nitro-
CAS Number:
13291-54-8
Molecular Formula:
C16H31NO3
Molecular Weight:
285.4222
IUPAC Name:
1-nitrohexadecan-2-one
InChI:
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h2-15H2,1H3
InChI Key:
DGJBGXADLQALTN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(=O)C[N+](=O)[O-]
NSC Number:
138158
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.428g/mol
Monoisotopic Mass:
285.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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