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4-Cyclopropylbenzaldehyde

CAT: 0127-OR307253-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR307253-01Size:100 mg
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CAS Number
20034-50-8
MDL Number
MFCD06802398
Purity
97%
Smiles
O=Cc1ccc(cc1)C2CC2

Chemical Information

4-Cyclopropylbenzaldehyde
CAS Number20034-50-8
PubChem CID11506474
IUPAC Name4-cyclopropylbenzaldehyde
Molecular FormulaC10H10O
Molecular Weight146.19
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity141
SMILES
C1CC1C2=CC=C(C=C2)C=O
InChI
InChI=1S/C10H10O/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,7,10H,5-6H2
InChIKey
CZUQVKFJAJAHGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyclopropylbenzaldehyde
CAS: 20034-50-8
CID: 11506474
Formula: C10H10O
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass146.073164938
Monoisotopic Mass146.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity141
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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