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117382-66-8 | 2H-1-Benzopyran-3-carboxylic acid, 8-ethoxy-2-oxo-, ethyl ester
CAS No: 117382-66-8 Catalog No: AG000E6Z MDL No:
Product Description
Catalog Number:
AG000E6Z
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 8-ethoxy-2-oxo-, ethyl ester
CAS Number:
117382-66-8
Molecular Formula:
C14H14O5
Molecular Weight:
262.2580
IUPAC Name:
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C14H14O5/c1-3-17-11-7-5-6-9-8-10(13(15)18-4-2)14(16)19-12(9)11/h5-8H,3-4H2,1-2H3
InChI Key:
GYFFMLZIXZDBEB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cccc(c2oc1=O)OCC
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.261g/mol
Monoisotopic Mass:
262.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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