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13011-95-5 | 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester
CAS No: 13011-95-5 Catalog No: AG000U0P MDL No:
Product Description
Catalog Number:
AG000U0P
Chemical Name:
1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester
CAS Number:
13011-95-5
Molecular Formula:
C12H8O8--
Molecular Weight:
280.1871
IUPAC Name:
2,5-bis(methoxycarbonyl)terephthalic acid
InChI:
InChI=1S/C12H10O8/c1-19-11(17)7-3-6(10(15)16)8(12(18)20-2)4-5(7)9(13)14/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
QUNAYECDJMFUKV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)OC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.204g/mol
Monoisotopic Mass:
282.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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