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130655-88-8 | 3-Thiophenecarboxylic acid, 2,3-dihydro-5-(4-methylphenyl)-
CAS No: 130655-88-8 Catalog No: AG000URD MDL No:
Product Description
Catalog Number:
AG000URD
Chemical Name:
3-Thiophenecarboxylic acid, 2,3-dihydro-5-(4-methylphenyl)-
CAS Number:
130655-88-8
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
5-(4-methylphenyl)-2,3-dihydrothiophene-3-carboxylic acid
InChI:
InChI=1S/C12H12O2S/c1-8-2-4-9(5-3-8)11-6-10(7-15-11)12(13)14/h2-6,10H,7H2,1H3,(H,13,14)
InChI Key:
IQJHPBHLOFEPRH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(=C1)c1ccc(cc1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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