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194416-91-6 | Methyl 2-(5-Formyl-2-thienyl)benzoate
CAS No: 194416-91-6 Catalog No: AG01FD8Q MDL No:
Product Description
Catalog Number:
AG01FD8Q
Chemical Name:
Methyl 2-(5-Formyl-2-thienyl)benzoate
CAS Number:
194416-91-6
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
IUPAC Name:
methyl 2-(5-formylthiophen-2-yl)benzoate
InChI:
InChI=1S/C13H10O3S/c1-16-13(15)11-5-3-2-4-10(11)12-7-6-9(8-14)17-12/h2-8H,1H3
InChI Key:
PNNFPXRQPVJHBQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccccc1C(=O)OC
Properties
Complexity:
292
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:
2.9
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