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Home > Nitro Compounds > 13154-47-7
13154-47-7 | Dodecanoic acid, 12-nitro-, methyl ester
CAS No: 13154-47-7 Catalog No: AG000ZE0 MDL No:
Product Description
Catalog Number:
AG000ZE0
Chemical Name:
Dodecanoic acid, 12-nitro-, methyl ester
CAS Number:
13154-47-7
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
IUPAC Name:
methyl 12-nitrododecanoate
InChI:
InChI=1S/C13H25NO4/c1-18-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-12H2,1H3
InChI Key:
SJVAZOSTYXOYOA-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCC[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.346g/mol
Monoisotopic Mass:
259.178g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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