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Home > Nitro Compounds > 7766-83-8
7766-83-8 | dimethyl 4-nitroheptanedioate
CAS No: 7766-83-8 Catalog No: AG0058M7 MDL No:
Product Description
Catalog Number:
AG0058M7
Chemical Name:
dimethyl 4-nitroheptanedioate
CAS Number:
7766-83-8
Molecular Formula:
C9H15NO6
Molecular Weight:
233.2185
IUPAC Name:
dimethyl 4-nitroheptanedioate
InChI:
InChI=1S/C9H15NO6/c1-15-8(11)5-3-7(10(13)14)4-6-9(12)16-2/h7H,3-6H2,1-2H3
InChI Key:
JWWGSSBSDDOWPP-UHFFFAOYSA-N
SMILES:
COC(=O)CCC([N+](=O)[O-])CCC(=O)OC
NSC Number:
143370
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.22g/mol
Monoisotopic Mass:
233.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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