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23602-85-9 | 1,2-Benzenedicarboxylic acid, 4,4'-(1,4-phenylenedicarbonyl)bis- (9CI)
CAS No: 23602-85-9 Catalog No: AG002NVO MDL No:
Product Description
Catalog Number:
AG002NVO
Chemical Name:
1,2-Benzenedicarboxylic acid, 4,4'-(1,4-phenylenedicarbonyl)bis- (9CI)
CAS Number:
23602-85-9
Molecular Formula:
C24H14O10
Molecular Weight:
462.3620
IUPAC Name:
4-[4-(3,4-dicarboxybenzoyl)benzoyl]phthalic acid
InChI:
InChI=1S/C24H14O10/c25-19(13-5-7-15(21(27)28)17(9-13)23(31)32)11-1-2-12(4-3-11)20(26)14-6-8-16(22(29)30)18(10-14)24(33)34/h1-10H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChI Key:
FOMRNNDDNMWZFO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C(=O)O)C(=O)O)c1ccc(cc1)C(=O)c1ccc(c(c1)C(=O)O)C(=O)O
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.059g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
462.366g/mol
Monoisotopic Mass:
462.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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