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Home > Nitro Compounds > 88238-97-5
88238-97-5 | Pentanedioic acid, 2-(hydroxymethyl)-2-nitro-, 5-ethyl 1-methyl ester
CAS No: 88238-97-5 Catalog No: AG004B1S MDL No:
Product Description
Catalog Number:
AG004B1S
Chemical Name:
Pentanedioic acid, 2-(hydroxymethyl)-2-nitro-, 5-ethyl 1-methyl ester
CAS Number:
88238-97-5
Molecular Formula:
C9H15NO7
Molecular Weight:
249.2179
IUPAC Name:
5-O-ethyl 1-O-methyl 2-(hydroxymethyl)-2-nitropentanedioate
InChI:
InChI=1S/C9H15NO7/c1-3-17-7(12)4-5-9(6-11,10(14)15)8(13)16-2/h11H,3-6H2,1-2H3
InChI Key:
OXIZDWQMHXVVGW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C(=O)OC)([N+](=O)[O-])CO
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.219g/mol
Monoisotopic Mass:
249.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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