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BJE6-106 25mg

CAT: 0628-A18627-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A18627-25Size:25 mg
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CAS Number
1564249-38-2

Chemical Information

6-(2-(9h-Carbazol-9-yl)ethyl)-2,2-dimethyl-2h-chromene-8-carbaldehyde
CAS Number1564249-38-2
PubChem CID85471521
IUPAC Name6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde
Molecular FormulaC26H23NO2
Molecular Weight381.5
XLogP5.6
Topological Polar Surface Area31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity606
SMILES
CC1(C=CC2=C(O1)C(=CC(=C2)CCN3C4=CC=CC=C4C5=CC=CC=C53)C=O)C
InChI
InChI=1S/C26H23NO2/c1-26(2)13-11-19-15-18(16-20(17-28)25(19)29-26)12-14-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-11,13,15-17H,12,14H2,1-2H3
InChIKey
QLDDENZBVHBRKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2-(9h-Carbazol-9-yl)ethyl)-2,2-dimethyl-2h-chromene-8-carbaldehyde
CAS: 1564249-38-2
CID: 85471521
Formula: C26H23NO2
MW: 381.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight381.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass381.172878976
Monoisotopic Mass381.172878976
Topological Polar Surface Area31.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity606
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