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4-Isopropoxybenzaldehyde

CAT: 0127-OR1247-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1247-01Size:25 g
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CAS Number
18962-05-5
MDL Number
MFCD00052357
Purity
98%
Smiles
CC(C)Oc1ccc(C=O)cc1

Chemical Information

4-Isopropoxybenzaldehyde
CAS Number18962-05-5
PubChem CID250077
IUPAC Name4-propan-2-yloxybenzaldehyde
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity135
SMILES
CC(C)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKey
WDANSDASCKBVKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropoxybenzaldehyde
CAS: 18962-05-5
CID: 250077
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity135
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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