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Home > Nitro Compounds > 80693-41-0
80693-41-0 | 3-Nonanone, 1-nitro-
CAS No: 80693-41-0 Catalog No: AG005JXE MDL No:
Product Description
Catalog Number:
AG005JXE
Chemical Name:
3-Nonanone, 1-nitro-
CAS Number:
80693-41-0
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
1-nitrononan-3-one
InChI:
InChI=1S/C9H17NO3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h2-8H2,1H3
InChI Key:
JQUUOLKUVNDIMU-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)CC[N+](=O)[O-]
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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