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1261969-21-4 | Benzoic acid, 3-methoxy-5-(3-thienyl)-
CAS No: 1261969-21-4 Catalog No: AG000S92 MDL No:MFCD18318893
Product Description
Catalog Number:
AG000S92
Chemical Name:
Benzoic acid, 3-methoxy-5-(3-thienyl)-
CAS Number:
1261969-21-4
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
MDL Number:
MFCD18318893
IUPAC Name:
3-methoxy-5-thiophen-3-ylbenzoic acid
InChI:
InChI=1S/C12H10O3S/c1-15-11-5-9(8-2-3-16-7-8)4-10(6-11)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
CZLWEVLOUKCJJZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)c1ccsc1
Properties
Complexity:
257
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:
2.7
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