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Hydrocoumarin

CAT: 1410-M17874-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M17874-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Spice, used in food, also used as a substitute for coumarin; used in cosmetics.
CAS Number
119-84-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
148.16
Molecular Formula
C9H8O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Dihydrocoumarin

3,4-dihydrocoumarin is a chromanone that is the 3,4-dihydro derivative of coumarin. It has a role as a plant metabolite. It is functionally related to a coumarin.

CAS Number119-84-6
PubChem CID660
IUPAC Name3,4-dihydrochromen-2-one
Molecular FormulaC9H8O2
Molecular Weight148.16
XLogP1.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1CC(=O)OC2=CC=CC=C21
InChI
InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey
VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrocoumarin
CAS: 119-84-6
CID: 660
Formula: C9H8O2
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass148.052429494
Monoisotopic Mass148.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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