Products for Research Use Only

3-Cyclopropoxy-4-methoxybenzaldehyde

CAT: 0926-IZA51500-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-IZA51500-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
608515-00-0
MDL Number
MFCD16996202
Smiles
COC1=C (C=C (C=C1) C=O) OC2CC2
Molecular Formula
C11H12O3
Molecular Weight
192.21 g/mol
Controlled
No

Chemical Information

3-Cyclopropoxy-4-methoxybenzaldehyde
CAS Number608515-00-0
PubChem CID72221098
IUPAC Name3-cyclopropyloxy-4-methoxybenzaldehyde
Molecular FormulaC11H12O3
Molecular Weight192.21
XLogP1.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
COC1=C(C=C(C=C1)C=O)OC2CC2
InChI
InChI=1S/C11H12O3/c1-13-10-5-2-8(7-12)6-11(10)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKey
NUPJLUSVFMBCOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclopropoxy-4-methoxybenzaldehyde
CAS: 608515-00-0
CID: 72221098
Formula: C11H12O3
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass192.078644241
Monoisotopic Mass192.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
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