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HA5

CAT: 0127-BUP05299-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05299-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2378406-17-6
Purity
=98%
Smiles
O=C1C(OC=2C=CC=CC12)=CC3=CC(O)=C(O)C=C3O

Chemical Information

(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
CAS Number2378406-17-6
PubChem CID153126818
IUPAC Name(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
Molecular FormulaC15H10O5
Molecular Weight270.24
XLogP2.5
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity418
SMILES
C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC(=C(C=C3O)O)O)/O2
InChI
InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H/b14-6-
InChIKey
VVYKSKJYFAOSBP-NSIKDUERSA-N
Chemical Structure
2D Structure
2D structure of (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
CAS: 2378406-17-6
CID: 153126818
Formula: C15H10O5
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass270.05282342
Monoisotopic Mass270.05282342
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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