Products for Research Use Only

6-Hydroxy-3-Coumaranone 97.0%

CAT: 0459-114705-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0459-114705-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6272-26-0

Chemical Information

6-Hydroxy-3-coumaranone
CAS Number6272-26-0
PubChem CID235717
IUPAC Name6-hydroxy-1-benzofuran-3-one
Molecular FormulaC8H6O3
Molecular Weight150.13
XLogP1.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity178
SMILES
C1C(=O)C2=C(O1)C=C(C=C2)O
InChI
InChI=1S/C8H6O3/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,9H,4H2
InChIKey
GBDMODVZBPFQKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy-3-coumaranone
CAS: 6272-26-0
CID: 235717
Formula: C8H6O3
MW: 150.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.13
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass150.031694049
Monoisotopic Mass150.031694049
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity178
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