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Home > Nitro Compounds > 88238-99-7
88238-99-7 | Undecanoic acid, 4-[(acetyloxy)methyl]-4-nitro-5-oxo-, methyl ester
CAS No: 88238-99-7 Catalog No: AG004CUV MDL No:
Product Description
Catalog Number:
AG004CUV
Chemical Name:
Undecanoic acid, 4-[(acetyloxy)methyl]-4-nitro-5-oxo-, methyl ester
CAS Number:
88238-99-7
Molecular Formula:
C15H25NO7
Molecular Weight:
331.3615
IUPAC Name:
methyl 4-(acetyloxymethyl)-4-nitro-5-oxoundecanoate
InChI:
InChI=1S/C15H25NO7/c1-4-5-6-7-8-13(18)15(16(20)21,11-23-12(2)17)10-9-14(19)22-3/h4-11H2,1-3H3
InChI Key:
AIBSMEGXECPPBN-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])(CCC(=O)OC)COC(=O)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.365g/mol
Monoisotopic Mass:
331.163g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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