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893735-27-8 | Methyl 3-(5-acetyl-2-thienyl)benzoate
CAS No: 893735-27-8 Catalog No: AG01FD9O MDL No:
Product Description
Catalog Number:
AG01FD9O
Chemical Name:
Methyl 3-(5-acetyl-2-thienyl)benzoate
CAS Number:
893735-27-8
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
IUPAC Name:
methyl 3-(5-acetylthiophen-2-yl)benzoate
InChI:
InChI=1S/C14H12O3S/c1-9(15)12-6-7-13(18-12)10-4-3-5-11(8-10)14(16)17-2/h3-8H,1-2H3
InChI Key:
KRBBHUCWUSHQFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(s1)C(=O)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/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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