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100037-67-0 | 2H-1-Benzopyran-3-carboxylic acid, 4,8-dihydroxy-2-oxo-, ethyl ester
CAS No: 100037-67-0 Catalog No: AG0000MH MDL No:
Product Description
Catalog Number:
AG0000MH
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 4,8-dihydroxy-2-oxo-, ethyl ester
CAS Number:
100037-67-0
Molecular Formula:
C12H10O6
Molecular Weight:
250.2042
IUPAC Name:
ethyl 4,8-dihydroxy-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C12H10O6/c1-2-17-11(15)8-9(14)6-4-3-5-7(13)10(6)18-12(8)16/h3-5,13-14H,2H2,1H3
InChI Key:
UWBJNMKURBCXAW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(=O)oc2c(c1O)cccc2O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.206g/mol
Monoisotopic Mass:
250.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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