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Home > Nitro Compounds > 185433-44-7
185433-44-7 | 2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-5-nitrobenzoic acid
CAS No: 185433-44-7 Catalog No: AG00JWIA MDL No:MFCD23380653
Product Description
Catalog Number:
AG00JWIA
Chemical Name:
2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-5-nitrobenzoic acid
CAS Number:
185433-44-7
Molecular Formula:
C12H11NO8
Molecular Weight:
297.2176
MDL Number:
MFCD23380653
IUPAC Name:
2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C12H11NO8/c1-20-11(16)9(12(17)21-2)7-4-3-6(13(18)19)5-8(7)10(14)15/h3-5,9H,1-2H3,(H,14,15)
InChI Key:
WPLWCNRGSGEDSC-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1C(=O)O)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.219g/mol
Monoisotopic Mass:
297.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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