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Menthofuran 95% Extrapure

CAT: 1507-1644D 00050Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1507-1644D 00050Size:50 mg
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CAS Number
494-90-6
HSN Code
29329990

Chemical Information

Menthofuran

Menthofuran is a monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. It has a role as a nematicide and a plant metabolite. It is a monoterpenoid and a member of 1-benzofurans.

CAS Number494-90-6
PubChem CID329983
IUPAC Name3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP3
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC1CCC2=C(C1)OC=C2C
InChI
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
InChIKey
YGWKXXYGDYYFJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Menthofuran
CAS: 494-90-6
CID: 329983
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area13.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes