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873548-66-4 | Methyl 2-(2-thenoyl)benzoate
CAS No: 873548-66-4 Catalog No: AG01FFC8 MDL No:
Product Description
Catalog Number:
AG01FFC8
Chemical Name:
Methyl 2-(2-thenoyl)benzoate
CAS Number:
873548-66-4
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
IUPAC Name:
methyl 2-(thiophene-2-carbonyl)benzoate
InChI:
InChI=1S/C13H10O3S/c1-16-13(15)10-6-3-2-5-9(10)12(14)11-7-4-8-17-11/h2-8H,1H3
InChI Key:
UAYACHKOTIDCAJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)c1cccs1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.28g/mol
Monoisotopic Mass:
246.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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