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Home > Nitro Compounds > 13154-42-2
13154-42-2 | Octanoic acid, 8-nitro-, ethyl ester
CAS No: 13154-42-2 Catalog No: AG000ZE1 MDL No:
Product Description
Catalog Number:
AG000ZE1
Chemical Name:
Octanoic acid, 8-nitro-, ethyl ester
CAS Number:
13154-42-2
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
ethyl 8-nitrooctanoate
InChI:
InChI=1S/C10H19NO4/c1-2-15-10(12)8-6-4-3-5-7-9-11(13)14/h2-9H2,1H3
InChI Key:
TVKYMYQYGRCVMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC[N+](=O)[O-]
Properties
Complexity:
188
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:
9
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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