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5,7-Dihydroxychroman-4-one

CAT: 0931-TN8482-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8482-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108085-46-7
Bioactivity
5,7-Dihydroxychroman-4-one is a natural product that can be used in related research in the field of life sciences. Its product number is TN8482.
Smiles
O=C1C=2C(O)=CC(O)=CC2OCC1
Molecular Formula
C9H8O4
Molecular Weight
180.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,7-Dihydroxychroman-4-one
CAS Number108085-46-7
PubChem CID25094514
IUPAC Name5,7-dihydroxy-2,3-dihydrochromen-4-one
Molecular FormulaC9H8O4
Molecular Weight180.16
XLogP1.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity216
SMILES
C1COC2=CC(=CC(=C2C1=O)O)O
InChI
InChI=1S/C9H8O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h3-4,10,12H,1-2H2
InChIKey
NDDUBDUPYJZIAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxychroman-4-one
CAS: 108085-46-7
CID: 25094514
Formula: C9H8O4
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass180.04225873
Monoisotopic Mass180.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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