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893736-94-2 | Methyl 4-(5-formyl-3-thienyl)benzoate
CAS No: 893736-94-2 Catalog No: AG01FD9P MDL No:
Product Description
Catalog Number:
AG01FD9P
Chemical Name:
Methyl 4-(5-formyl-3-thienyl)benzoate
CAS Number:
893736-94-2
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
IUPAC Name:
methyl 4-(5-formylthiophen-3-yl)benzoate
InChI:
InChI=1S/C13H10O3S/c1-16-13(15)10-4-2-9(3-5-10)11-6-12(7-14)17-8-11/h2-8H,1H3
InChI Key:
GCAUXBXCNWKPDI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1csc(c1)C=O
Properties
Complexity:
284
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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