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20924-63-4 | 4H-1-Benzopyran-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
CAS No: 20924-63-4 Catalog No: AG002K47 MDL No:
Product Description
Catalog Number:
AG002K47
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
CAS Number:
20924-63-4
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
ethyl 3-methyl-4-oxochromene-2-carboxylate
InChI:
InChI=1S/C13H12O4/c1-3-16-13(15)12-8(2)11(14)9-6-4-5-7-10(9)17-12/h4-7H,3H2,1-2H3
InChI Key:
OQATUSWUYAWKPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2ccccc2c(=O)c1C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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