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26197-42-2 | 2H-1-Benzopyran-3-carboxylic acid, 4-ethyl-6-methyl-2-oxo-, ethyl ester
CAS No: 26197-42-2 Catalog No: AG002S80 MDL No:
Product Description
Catalog Number:
AG002S80
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 4-ethyl-6-methyl-2-oxo-, ethyl ester
CAS Number:
26197-42-2
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
ethyl 4-ethyl-6-methyl-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C15H16O4/c1-4-10-11-8-9(3)6-7-12(11)19-15(17)13(10)14(16)18-5-2/h6-8H,4-5H2,1-3H3
InChI Key:
WUVDVXHCWIOIOU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(=O)oc2c(c1CC)cc(cc2)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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