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222180-24-7 | 5-(2-Formylphenyl)-2-thiophenecarboxylic acid
CAS No: 222180-24-7 Catalog No: AG01FAH8 MDL No:
Product Description
Catalog Number:
AG01FAH8
Chemical Name:
5-(2-Formylphenyl)-2-thiophenecarboxylic acid
CAS Number:
222180-24-7
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
IUPAC Name:
5-(2-formylphenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H8O3S/c13-7-8-3-1-2-4-9(8)10-5-6-11(16-10)12(14)15/h1-7H,(H,14,15)
InChI Key:
RJBQQTIIYBWXSS-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1ccc(s1)C(=O)O
Properties
Complexity:
279
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:
2.6
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