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125124-66-5 | 2H-1-Benzopyran-5-carboxylic acid, 3,8-dihydroxy-4-methoxy-2-oxo-
CAS No: 125124-66-5 Catalog No: AG000N8Y MDL No:
Product Description
Catalog Number:
AG000N8Y
Chemical Name:
2H-1-Benzopyran-5-carboxylic acid, 3,8-dihydroxy-4-methoxy-2-oxo-
CAS Number:
125124-66-5
Molecular Formula:
C11H8O7
Molecular Weight:
252.1770
IUPAC Name:
3,8-dihydroxy-4-methoxy-2-oxochromene-5-carboxylic acid
InChI:
InChI=1S/C11H8O7/c1-17-9-6-4(10(14)15)2-3-5(12)8(6)18-11(16)7(9)13/h2-3,12-13H,1H3,(H,14,15)
InChI Key:
ZWHGKGZEJKYFFJ-UHFFFAOYSA-N
SMILES:
COc1c2c(ccc(c2oc(=O)c1O)O)C(=O)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.178g/mol
Monoisotopic Mass:
252.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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