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3112-43-4 | 1,3-Benzenedicarboxylic acid, 2-(carboxycarbonyl)-
CAS No: 3112-43-4 Catalog No: AG003268 MDL No:
Product Description
Catalog Number:
AG003268
Chemical Name:
1,3-Benzenedicarboxylic acid, 2-(carboxycarbonyl)-
CAS Number:
3112-43-4
Molecular Formula:
C10H6O7
Molecular Weight:
238.1504
IUPAC Name:
2-oxalobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C10H6O7/c11-7(10(16)17)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,12,13)(H,14,15)(H,16,17)
InChI Key:
MKKVMUPZRDPRHL-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1c(cccc1C(=O)O)C(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.151g/mol
Monoisotopic Mass:
238.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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