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Home > Nitro Compounds > 88238-95-3
88238-95-3 | Undecanoic acid, 4-(hydroxymethyl)-4-nitro-5-oxo-, methyl ester
CAS No: 88238-95-3 Catalog No: AG004CUY MDL No:
Product Description
Catalog Number:
AG004CUY
Chemical Name:
Undecanoic acid, 4-(hydroxymethyl)-4-nitro-5-oxo-, methyl ester
CAS Number:
88238-95-3
Molecular Formula:
C13H23NO6
Molecular Weight:
289.3248
IUPAC Name:
methyl 4-(hydroxymethyl)-4-nitro-5-oxoundecanoate
InChI:
InChI=1S/C13H23NO6/c1-3-4-5-6-7-11(16)13(10-15,14(18)19)9-8-12(17)20-2/h15H,3-10H2,1-2H3
InChI Key:
VVVHTBUXMUVCTD-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])(CCC(=O)OC)CO
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.328g/mol
Monoisotopic Mass:
289.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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