Compound Summary for: CID 56676308

Molecular Formula: C16H14O4   Molecular Weight: 270.27996   InChIKey: NOXYLWJSDODIMY-UHFFFAOYSA-N
Compound Information
CID 56676308
Create Date: 2012-03-06
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 270.27996 [g/mol]
Molecular FormulaC16H14O4
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass270.089209
MonoIsotopic Mass270.089209
Topological Polar Surface Area66.8
Heavy Atom Count20
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Name5,7-dihydroxy-2-phenylchromen-4-one;methane
InChIInChI=1S/C15H10O4.CH4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;/h1-8,16-17H;1H4
InChIKeyNOXYLWJSDODIMY-UHFFFAOYSA-N
Canonical SMILESC.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Isomeric SMILESC.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Old Version Substance Information