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Home > Nitro Compounds > 13154-40-0
13154-40-0 | Hexanoic acid, 6-nitro-, methyl ester
CAS No: 13154-40-0 Catalog No: AG000ZE2 MDL No:
Product Description
Catalog Number:
AG000ZE2
Chemical Name:
Hexanoic acid, 6-nitro-, methyl ester
CAS Number:
13154-40-0
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
IUPAC Name:
methyl 6-nitrohexanoate
InChI:
InChI=1S/C7H13NO4/c1-12-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3
InChI Key:
ZCGHLLAHRBMQLF-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC[N+](=O)[O-]
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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