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13132-07-5 | 2,5-Thiophenedicarboxylic acid, 3-phenyl-
CAS No: 13132-07-5 Catalog No: AG000VXB MDL No:
Product Description
Catalog Number:
AG000VXB
Chemical Name:
2,5-Thiophenedicarboxylic acid, 3-phenyl-
CAS Number:
13132-07-5
Molecular Formula:
C12H8O4S
Molecular Weight:
248.2545
IUPAC Name:
3-phenylthiophene-2,5-dicarboxylic acid
InChI:
InChI=1S/C12H8O4S/c13-11(14)9-6-8(10(17-9)12(15)16)7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16)
InChI Key:
YKRQPDAYQVFJPU-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(cc1c1ccccc1)C(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.252g/mol
Monoisotopic Mass:
248.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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