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116016-56-9 | 2-Thiophenecarboxylic acid, 5-(4-methoxyphenyl)-
CAS No: 116016-56-9 Catalog No: AG000BDU MDL No:MFCD00221059
Product Description
Catalog Number:
AG000BDU
Chemical Name:
2-Thiophenecarboxylic acid, 5-(4-methoxyphenyl)-
CAS Number:
116016-56-9
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
MDL Number:
MFCD00221059
IUPAC Name:
5-(4-methoxyphenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H10O3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
XLTXZWKQUHETLK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(s1)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.269g/mol
Monoisotopic Mass:
234.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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