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30006-03-2 | 3-Benzoylthiophene-2-carboxylic acid
CAS No: 30006-03-2 Catalog No: AG003IYK MDL No:
Product Description
Catalog Number:
AG003IYK
Chemical Name:
3-Benzoylthiophene-2-carboxylic acid
CAS Number:
30006-03-2
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
IUPAC Name:
3-benzoylthiophene-2-carboxylic acid
InChI:
InChI=1S/C12H8O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7H,(H,14,15)
InChI Key:
ZKHLBCVFVQJMBT-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1C(=O)c1ccccc1
UNII:
Q4K02HKZ9P
NSC Number:
241104
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.253g/mol
Monoisotopic Mass:
232.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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