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Home > Nitro Compounds > 88238-93-1
88238-93-1 | Pentanedioic acid, 2-nitro-, 5-ethyl 1-methyl ester
CAS No: 88238-93-1 Catalog No: AG004AUI MDL No:
Product Description
Catalog Number:
AG004AUI
Chemical Name:
Pentanedioic acid, 2-nitro-, 5-ethyl 1-methyl ester
CAS Number:
88238-93-1
Molecular Formula:
C8H13NO6
Molecular Weight:
219.1919
IUPAC Name:
5-O-ethyl 1-O-methyl 2-nitropentanedioate
InChI:
InChI=1S/C8H13NO6/c1-3-15-7(10)5-4-6(9(12)13)8(11)14-2/h6H,3-5H2,1-2H3
InChI Key:
CVJNGQQKDYBXBD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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