Home Other Building Blocks 3-(thiophen-2-ylmethoxy)benzoic acid

3-(thiophen-2-ylmethoxy)benzoic acid

CAS No.:
951912-97-3
Catalog Number:
AG019N0V
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
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Product Description
Catalog Number:
AG019N0V
Chemical Name:
3-(thiophen-2-ylmethoxy)benzoic acid
CAS Number:
951912-97-3
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
MDL Number:
MFCD09808959
IUPAC Name:
3-(thiophen-2-ylmethoxy)benzoic acid
InChI:
InChI=1S/C12H10O3S/c13-12(14)9-3-1-4-10(7-9)15-8-11-5-2-6-16-11/h1-7H,8H2,(H,13,14)
InChI Key:
YNKDMGHVBOCDLQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OCc1cccs1
Properties
Complexity:
244  
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:
4  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties