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Home > Nitro Compounds > 81590-80-9
81590-80-9 | 2-Oxecanone, 10-methyl-7-nitro-
CAS No: 81590-80-9 Catalog No: AG0051LZ MDL No:
Product Description
Catalog Number:
AG0051LZ
Chemical Name:
2-Oxecanone, 10-methyl-7-nitro-
CAS Number:
81590-80-9
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
10-methyl-7-nitrooxecan-2-one
InChI:
InChI=1S/C10H17NO4/c1-8-6-7-9(11(13)14)4-2-3-5-10(12)15-8/h8-9H,2-7H2,1H3
InChI Key:
XVRGSTGVQMINAO-UHFFFAOYSA-N
SMILES:
CC1CCC(CCCCC(=O)O1)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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