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Home > Nitro Compounds > 147124-33-2
147124-33-2 | Propanedioic acid, (4-methoxy-2-nitrophenyl)-, dimethyl ester
CAS No: 147124-33-2 Catalog No: AG00HXJZ MDL No:MFCD00831658
Product Description
Catalog Number:
AG00HXJZ
Chemical Name:
Propanedioic acid, (4-methoxy-2-nitrophenyl)-, dimethyl ester
CAS Number:
147124-33-2
Molecular Formula:
C12H13NO7
Molecular Weight:
283.2341
MDL Number:
MFCD00831658
IUPAC Name:
dimethyl 2-(4-methoxy-2-nitrophenyl)propanedioate
InChI:
InChI=1S/C12H13NO7/c1-18-7-4-5-8(9(6-7)13(16)17)10(11(14)19-2)12(15)20-3/h4-6,10H,1-3H3
InChI Key:
ILPXOYKZESBAHY-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])OC)C(=O)OC
Properties
Complexity:
363
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:
1.6
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