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Home > Nitro Compounds > 88444-67-1
88444-67-1 | Propanedioic acid, 2-cyclopenten-1-yl(4-nitrobutyl)-, dimethyl ester
CAS No: 88444-67-1 Catalog No: AG004HBN MDL No:
Product Description
Catalog Number:
AG004HBN
Chemical Name:
Propanedioic acid, 2-cyclopenten-1-yl(4-nitrobutyl)-, dimethyl ester
CAS Number:
88444-67-1
Molecular Formula:
C14H21NO6
Molecular Weight:
299.3196
IUPAC Name:
dimethyl 2-(cyclopenten-1-yl)-2-(4-nitrobutyl)propanedioate
InChI:
InChI=1S/C14H21NO6/c1-20-12(16)14(13(17)21-2,11-7-3-4-8-11)9-5-6-10-15(18)19/h7H,3-6,8-10H2,1-2H3
InChI Key:
MNMJRJOMBDXXIA-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1=CCCC1)(C(=O)OC)CCCC[N+](=O)[O-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.323g/mol
Monoisotopic Mass:
299.137g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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