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20608-88-2 | Methyl 2-(3-thienyl)benzoate
CAS No: 20608-88-2 Catalog No: AG01FFBP MDL No:
Product Description
Catalog Number:
AG01FFBP
Chemical Name:
Methyl 2-(3-thienyl)benzoate
CAS Number:
20608-88-2
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
IUPAC Name:
methyl 2-thiophen-3-ylbenzoate
InChI:
InChI=1S/C12H10O2S/c1-14-12(13)11-5-3-2-4-10(11)9-6-7-15-8-9/h2-8H,1H3
InChI Key:
PARKTCBUEOYYIP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1cscc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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