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3,7-Dimethyldibenzofuran

CAT: 0572-TRC-D322010-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D322010-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41738-54-9
Hazard Statement
No Data Available
Smiles
Cc1ccc2c(oc3cc(C)ccc23)c1
Molecular Formula
C14 H12 O
Molecular Weight
196.244
InChI
InChI=1S/C14H12O/c1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8H,1-2H3
Additionnal Information
IUPAC name: 3,7-dimethyldibenzofuran
Shipping Conditions
Room Temperature

Chemical Information

3,7-Dimethyldibenzofuran
CAS Number41738-54-9
PubChem CID12659188
IUPAC Name3,7-dimethyldibenzofuran
Molecular FormulaC14H12O
Molecular Weight196.24
XLogP4.4
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity213
SMILES
CC1=CC2=C(C=C1)C3=C(O2)C=C(C=C3)C
InChI
InChI=1S/C14H12O/c1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8H,1-2H3
InChIKey
VFCRTEVRAODBLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dimethyldibenzofuran
CAS: 41738-54-9
CID: 12659188
Formula: C14H12O
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass196.088815002
Monoisotopic Mass196.088815002
Topological Polar Surface Area13.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity213
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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