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2-Cyclopropyl-5-methoxybenzaldehyde

CAT: 0926-QSC61966-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QSC61966-01Size:50 mg
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CAS Number
1690619-66-9
MDL Number
MFCD31435764
Smiles
COC1=CC (=C (C=C1) C2CC2) C=O
Molecular Formula
C11H12O2
Molecular Weight
176.21 g/mol
Controlled
No

Chemical Information

2-Cyclopropyl-5-methoxybenzaldehyde
CAS Number1690619-66-9
PubChem CID84655538
IUPAC Name2-cyclopropyl-5-methoxybenzaldehyde
Molecular FormulaC11H12O2
Molecular Weight176.21
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity187
SMILES
COC1=CC(=C(C=C1)C2CC2)C=O
InChI
InChI=1S/C11H12O2/c1-13-10-4-5-11(8-2-3-8)9(6-10)7-12/h4-8H,2-3H2,1H3
InChIKey
JEWPEBLRSOUWJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopropyl-5-methoxybenzaldehyde
CAS: 1690619-66-9
CID: 84655538
Formula: C11H12O2
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass176.083729621
Monoisotopic Mass176.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity187
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
OR3158502- (Cyclopropyl) -5-methoxybenzaldehyde
OR1081622-015-Cyclopropyl-2-methoxybenzaldehyde
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