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4-Allyloxybenzaldehyde

CAT: 0127-OR451327-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR451327-01Size:5 g
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CAS Number
40663-68-1
MDL Number
MFCD00014133
Purity
97%
Smiles
C=CCOc1ccc(C=O)cc1

Chemical Information

4-(Allyloxy)benzaldehyde
CAS Number40663-68-1
PubChem CID95942
IUPAC Name4-prop-2-enoxybenzaldehyde
Molecular FormulaC10H10O2
Molecular Weight162.18
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity146
SMILES
C=CCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2
InChIKey
TYNJQOJWNMZQFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Allyloxy)benzaldehyde
CAS: 40663-68-1
CID: 95942
Formula: C10H10O2
MW: 162.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.18
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass162.068079557
Monoisotopic Mass162.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity146
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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