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3-Methyl-5-propoxybenzaldehyde

CAT: 0127-OR1090210-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1090210-01Size:250 mg
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CAS Number
2901106-41-8
MDL Number
MFCD34764251
Purity
97%
Smiles
C1 (cc (cc (c1) OCCC) C) C=O

Chemical Information

3-Methyl-5-propoxybenZaldehyde
CAS Number2901106-41-8
PubChem CID148138949
IUPAC Name3-methyl-5-propoxybenzaldehyde
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity156
SMILES
CCCOC1=CC(=CC(=C1)C=O)C
InChI
InChI=1S/C11H14O2/c1-3-4-13-11-6-9(2)5-10(7-11)8-12/h5-8H,3-4H2,1-2H3
InChIKey
JWNMYKLSGBSYLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-5-propoxybenZaldehyde
CAS: 2901106-41-8
CID: 148138949
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity156
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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Alternative Products

CatalogName
sc-3103723- (tert-Butyl) -5-methyl-4-propoxybenzaldehyde
sc-2838443-propoxybenzaldehyde
sc-347395A3,5-dibromo-2-propoxybenzaldehyde
IKB53190-012-Methyl-4-propoxybenzaldehyde
sc-346687A3-chloro-5-methoxy-4-propoxybenzaldehyde
sc-2845985-chloro-2-propoxybenzaldehyde
HIB67432-015-Bromo-3-iodo-2-propoxybenzaldehyde
JIB90789-013-Ethoxy-5-iodo-4-propoxybenzaldehyde
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