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Home > Nitro Compounds > 188407-69-4
188407-69-4 | Propanedioic acid, 2-methyl-2-(2-nitrophenoxy)-, 1,3-dimethyl ester
CAS No: 188407-69-4 Catalog No: AG002GVJ MDL No:
Product Description
Catalog Number:
AG002GVJ
Chemical Name:
Propanedioic acid, 2-methyl-2-(2-nitrophenoxy)-, 1,3-dimethyl ester
CAS Number:
188407-69-4
Molecular Formula:
C12H13NO7
Molecular Weight:
283.2341
IUPAC Name:
dimethyl 2-methyl-2-(2-nitrophenoxy)propanedioate
InChI:
InChI=1S/C12H13NO7/c1-12(10(14)18-2,11(15)19-3)20-9-7-5-4-6-8(9)13(16)17/h4-7H,1-3H3
InChI Key:
XOXRLXHDSUXWQS-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)(Oc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.236g/mol
Monoisotopic Mass:
283.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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