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3-Vinylbenzaldehyde

CAT: 0024-sc-226190Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226190Size:5 g
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CAS Number
19955-99-8

Chemical Information

3-Vinylbenzaldehyde
CAS Number19955-99-8
PubChem CID39390
IUPAC Name3-ethenylbenzaldehyde
Molecular FormulaC9H8O
Molecular Weight132.16
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C=CC1=CC(=CC=C1)C=O
InChI
InChI=1S/C9H8O/c1-2-8-4-3-5-9(6-8)7-10/h2-7H,1H2
InChIKey
CATOVPRCMWIZLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Vinylbenzaldehyde
CAS: 19955-99-8
CID: 39390
Formula: C9H8O
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass132.057514874
Monoisotopic Mass132.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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