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3449-48-7

3449-48-7 | 6-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

CAS No: 3449-48-7 Catalog No: AG003810 MDL No:MFCD00220361

Product Description

Catalog Number:
AG003810
Chemical Name:
6-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CAS Number:
3449-48-7
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD00220361
IUPAC Name:
6-methyl-2,3,4,9-tetrahydrocarbazol-1-one
InChI:
InChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3
InChI Key:
ITWUGZSJDMBOPH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c1CCCC(=O)c1[nH]2

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
2-(6-Methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-yl-idene)propane-dinitrile. Acta crystallographica. Section E, Structure reports online 20111201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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