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2-n-Heptylfuran

CAT: 0572-TRC-H288010-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H288010-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3777-71-7
Hazard Statement
No Data Available
Smiles
CCCCCCCc1occc1
Molecular Formula
C11 H18 O
Molecular Weight
166.26
InChI
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
Additionnal Information
IUPAC name: 2-heptylfuran
Shipping Conditions
Room Temperature

Chemical Information

2-Heptylfuran

2-heptylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a heptyl group. It is an effective inhibitor of chemical induced carcinogenesis. It has a role as a plant growth regulator, an antineoplastic agent, a flavouring agent, a mammalian metabolite, a plant metabolite, a fungal metabolite and a Maillard reaction product.

CAS Number3777-71-7
PubChem CID19603
IUPAC Name2-heptylfuran
Molecular FormulaC11H18O
Molecular Weight166.26
XLogP4.7
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity101
SMILES
CCCCCCCC1=CC=CO1
InChI
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
InChIKey
BHTUFJXTYNLISA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Heptylfuran
CAS: 3777-71-7
CID: 19603
Formula: C11H18O
MW: 166.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.26
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass166.135765193
Monoisotopic Mass166.135765193
Topological Polar Surface Area13.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity101
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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5402122-Heptylfuran
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