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128013-65-0 | Hexanoic acid, 5-methyl-3-(nitromethyl)-, ethyl ester
CAS No: 128013-65-0 Catalog No: AG000XOV MDL No:
Product Description
Catalog Number:
AG000XOV
Chemical Name:
Hexanoic acid, 5-methyl-3-(nitromethyl)-, ethyl ester
CAS Number:
128013-65-0
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
ethyl 5-methyl-3-(nitromethyl)hexanoate
InChI:
InChI=1S/C10H19NO4/c1-4-15-10(12)6-9(5-8(2)3)7-11(13)14/h8-9H,4-7H2,1-3H3
InChI Key:
LOHHVAYLSGONPS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C[N+](=O)[O-])CC(C)C
Properties
Complexity:
210
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:
7
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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