Products for Research Use Only

5- (benzyloxy) picolinaldehyde

CAT: 0127-OR1093037Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1093037Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
59781-08-7
MDL Number
MFCD10697537
Smiles
C1c (ncc (c1) OCc1ccccc1) C=O

Chemical Information

5-(Benzyloxy)pyridine-2-carbaldehyde
CAS Number59781-08-7
PubChem CID12397254
IUPAC Name5-phenylmethoxypyridine-2-carbaldehyde
Molecular FormulaC13H11NO2
Molecular Weight213.23
XLogP2.1
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1=CC=C(C=C1)COC2=CN=C(C=C2)C=O
InChI
InChI=1S/C13H11NO2/c15-9-12-6-7-13(8-14-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
DBGGDAAQLLDHSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Benzyloxy)pyridine-2-carbaldehyde
CAS: 59781-08-7
CID: 12397254
Formula: C13H11NO2
MW: 213.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.23
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass213.078978594
Monoisotopic Mass213.078978594
Topological Polar Surface Area39.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
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