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2-Ethenylbenzaldehyde

CAT: 0572-TRC-E678170-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E678170-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28272-96-0
Synonyms
2-Formylstyrene; 2-Vinylbenzaldehyde; o-Formylstyrene; o-Vinylbenzaldehyde
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
C=Cc1ccccc1C=O
Molecular Formula
C9H8O
Molecular Weight
132.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzaldehyde, 2-ethenyl-
CAS Number28272-96-0
PubChem CID39391
IUPAC Name2-ethenylbenzaldehyde
Molecular FormulaC9H8O
Molecular Weight132.16
XLogP2.5
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=C1C=O
InChI
InChI=1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h2-7H,1H2
InChIKey
DHEJIZSVHGOKMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, 2-ethenyl-
CAS: 28272-96-0
CID: 39391
Formula: C9H8O
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP32.5
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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