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82235-61-8 | 2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester
CAS No: 82235-61-8 Catalog No: AG0050CQ MDL No:
Product Description
Catalog Number:
AG0050CQ
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester
CAS Number:
82235-61-8
Molecular Formula:
C14H14O6
Molecular Weight:
278.2574
IUPAC Name:
ethyl 5,7-dimethoxy-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C14H14O6/c1-4-19-13(15)10-7-9-11(18-3)5-8(17-2)6-12(9)20-14(10)16/h5-7H,4H2,1-3H3
InChI Key:
ASYOKKGAMBQUSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(OC)cc(cc2oc1=O)OC
NSC Number:
111119
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.26g/mol
Monoisotopic Mass:
278.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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