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1808-04-4 | 4H-1-Benzopyran-4-one, 2,3-dihydro-3,3-dihydroxy-2,7-dimethoxy-2-phenyl-
CAS No: 1808-04-4 Catalog No: AG0022CY MDL No:
Product Description
Catalog Number:
AG0022CY
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-3,3-dihydroxy-2,7-dimethoxy-2-phenyl-
CAS Number:
1808-04-4
Molecular Formula:
C17H16O6
Molecular Weight:
316.3053
IUPAC Name:
3,3-dihydroxy-2,7-dimethoxy-2-phenylchromen-4-one
InChI:
InChI=1S/C17H16O6/c1-21-12-8-9-13-14(10-12)23-17(22-2,16(19,20)15(13)18)11-6-4-3-5-7-11/h3-10,19-20H,1-2H3
InChI Key:
VCRSBBFMODRGJP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC(C(C2=O)(O)O)(OC)c1ccccc1
NSC Number:
102043
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.309g/mol
Monoisotopic Mass:
316.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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