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4-Methoxy-9H-carbazole

CAT: 1266-JH918980Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
6933-50-2
Molecular Formula
C13H11NO
Molecular Weight
197.23

Chemical Information

4-Methoxycarbazole

structure in first source

CAS Number6933-50-2
PubChem CID12655269
IUPAC Name4-methoxy-9H-carbazole
Molecular FormulaC13H11NO
Molecular Weight197.23
XLogP3.8
Topological Polar Surface Area25
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity231
SMILES
COC1=CC=CC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C13H11NO/c1-15-12-8-4-7-11-13(12)9-5-2-3-6-10(9)14-11/h2-8,14H,1H3
InChIKey
LWPBIJIJIJTNOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxycarbazole
CAS: 6933-50-2
CID: 12655269
Formula: C13H11NO
MW: 197.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight197.23
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass197.084063974
Monoisotopic Mass197.084063974
Topological Polar Surface Area25 Ų
Heavy Atom Count15
Formal Charge0
Complexity231
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