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14736-31-3 | 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester
CAS No: 14736-31-3 Catalog No: AG001EUO MDL No:MFCD00250077
Product Description
Catalog Number:
AG001EUO
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, ethyl ester
CAS Number:
14736-31-3
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00250077
IUPAC Name:
ethyl 4-oxochromene-2-carboxylate
InChI:
InChI=1S/C12H10O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-7H,2H2,1H3
InChI Key:
CJVFJZNWXDFXHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)c2c(o1)cccc2
EC Number:
238-797-4
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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