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Home > Nitro Compounds > 88239-00-3
88239-00-3 | Hexanoic acid, 5-(acetyloxy)-2-[(acetyloxy)methyl]-2-nitro-, methyl ester
CAS No: 88239-00-3 Catalog No: AG004CUU MDL No:
Product Description
Catalog Number:
AG004CUU
Chemical Name:
Hexanoic acid, 5-(acetyloxy)-2-[(acetyloxy)methyl]-2-nitro-, methyl ester
CAS Number:
88239-00-3
Molecular Formula:
C12H19NO8
Molecular Weight:
305.2812
IUPAC Name:
methyl 5-acetyloxy-2-(acetyloxymethyl)-2-nitrohexanoate
InChI:
InChI=1S/C12H19NO8/c1-8(21-10(3)15)5-6-12(13(17)18,11(16)19-4)7-20-9(2)14/h8H,5-7H2,1-4H3
InChI Key:
CWGLUNYCZKNUJQ-UHFFFAOYSA-N
SMILES:
COC(=O)C([N+](=O)[O-])(CCC(OC(=O)C)C)COC(=O)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.283g/mol
Monoisotopic Mass:
305.111g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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