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Viburtinal

CAT: 1596-AR-V06562-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06562-06Size:250 Units
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CAS Number
63661-79-0
Molecular Formula
C10H8O2
Molecular Weight
160.17
API Name
Viburtinal

Chemical Information

Viburtinal

Viburtinal is an arenecarbaldehyde.

CAS Number63661-79-0
PubChem CID594452
IUPAC Name4-methylcyclopenta[c]pyran-7-carbaldehyde
Molecular FormulaC10H8O2
Molecular Weight160.17
XLogP1.8
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity179
SMILES
CC1=COC=C2C1=CC=C2C=O
InChI
InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3
InChIKey
IHEBZQKYPSMVBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Viburtinal
CAS: 63661-79-0
CID: 594452
Formula: C10H8O2
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass160.052429494
Monoisotopic Mass160.052429494
Topological Polar Surface Area30.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity179
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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