Home Carboxys 3-Hydroxy-5-phenyl-2-thiophenecarboxylic acid methyl ester

3-Hydroxy-5-phenyl-2-thiophenecarboxylic acid methyl ester

CAS No.:
5556-23-0
Catalog Number:
AG00DYF1
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
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Product Description
Catalog Number:
AG00DYF1
Chemical Name:
3-Hydroxy-5-phenyl-2-thiophenecarboxylic acid methyl ester
CAS Number:
5556-23-0
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
MDL Number:
MFCD00692292
IUPAC Name:
methyl 3-hydroxy-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C12H10O3S/c1-15-12(14)11-9(13)7-10(16-11)8-5-3-2-4-6-8/h2-7,13H,1H3
InChI Key:
NFOGATBBXLOEOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1O)c1ccccc1
Properties
Complexity:
251  
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:
3.6  
Properties