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3-(9-Anthryl)acrylaldehyde

CAT: 0572-TRC-A637253-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637253-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38982-12-6
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=CC=Cc1c2ccccc2cc3ccccc13
Molecular Formula
C17 H12 O
Molecular Weight
232.277
InChI
InChI=1S/C17H12O/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H
Additionnal Information
IUPAC name: 3-anthracen-9-ylprop-2-enal
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-(9-Anthracenyl)-2-propenal
CAS Number38982-12-6
PubChem CID3016028
IUPAC Name3-anthracen-9-ylprop-2-enal
Molecular FormulaC17H12O
Molecular Weight232.28
XLogP4.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity298
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC=O
InChI
InChI=1S/C17H12O/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H
InChIKey
NLHDGEXLFCDTHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(9-Anthracenyl)-2-propenal
CAS: 38982-12-6
CID: 3016028
Formula: C17H12O
MW: 232.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.28
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass232.088815002
Monoisotopic Mass232.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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