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Home > Nitro Compounds > 114020-95-0
114020-95-0 | Nonanoic acid, 4-nitro-, methyl ester
CAS No: 114020-95-0 Catalog No: AG000AC6 MDL No:
Product Description
Catalog Number:
AG000AC6
Chemical Name:
Nonanoic acid, 4-nitro-, methyl ester
CAS Number:
114020-95-0
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
methyl 4-nitrononanoate
InChI:
InChI=1S/C10H19NO4/c1-3-4-5-6-9(11(13)14)7-8-10(12)15-2/h9H,3-8H2,1-2H3
InChI Key:
KJMWTTYDQULDNM-UHFFFAOYSA-N
SMILES:
CCCCCC([N+](=O)[O-])CCC(=O)OC
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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