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851340-17-5 | 2-Thiophenecarboxylicacid, 4-(4-formylphenyl)-, methyl ester
CAS No: 851340-17-5 Catalog No: AG004R8U MDL No:MFCD16877961
Product Description
Catalog Number:
AG004R8U
Chemical Name:
2-Thiophenecarboxylicacid, 4-(4-formylphenyl)-, methyl ester
CAS Number:
851340-17-5
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
MDL Number:
MFCD16877961
IUPAC Name:
3-(4-formylphenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H8O3S/c13-7-8-1-3-9(4-2-8)10-5-6-16-11(10)12(14)15/h1-7H,(H,14,15)
InChI Key:
FFOUPFCTGQHHLU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccsc1C(=O)O
Properties
Complexity:
271
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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