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Home > Nitro Compounds > 14826-50-7
14826-50-7 | Heptanedioic acid, 4,4-dinitro-, 1,7-dimethyl ester
CAS No: 14826-50-7 Catalog No: AG001FL6 MDL No:
Product Description
Catalog Number:
AG001FL6
Chemical Name:
Heptanedioic acid, 4,4-dinitro-, 1,7-dimethyl ester
CAS Number:
14826-50-7
Molecular Formula:
C9H14N2O8
Molecular Weight:
278.2161
IUPAC Name:
dimethyl 4,4-dinitroheptanedioate
InChI:
InChI=1S/C9H14N2O8/c1-18-7(12)3-5-9(10(14)15,11(16)17)6-4-8(13)19-2/h3-6H2,1-2H3
InChI Key:
HOIDOAUGWVNMMM-UHFFFAOYSA-N
SMILES:
COC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])CCC(=O)OC
NSC Number:
16193
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.217g/mol
Monoisotopic Mass:
278.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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