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88673-77-2 | 5-Benzofurancarboxylic acid, 3-(4-methylbenzoyl)-, methyl ester
CAS No: 88673-77-2 Catalog No: AG0048CV MDL No:
Product Description
Catalog Number:
AG0048CV
Chemical Name:
5-Benzofurancarboxylic acid, 3-(4-methylbenzoyl)-, methyl ester
CAS Number:
88673-77-2
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
methyl 3-(4-methylbenzoyl)-1-benzofuran-5-carboxylate
InChI:
InChI=1S/C18H14O4/c1-11-3-5-12(6-4-11)17(19)15-10-22-16-8-7-13(9-14(15)16)18(20)21-2/h3-10H,1-2H3
InChI Key:
LKNJGCAFCNXBQN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(co2)C(=O)c1ccc(cc1)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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