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40302-36-1 | 2-(1h-indol-3-ylmethylidene)cyclohexane-1,3-dione
CAS No: 40302-36-1 Catalog No: AG0073OZ MDL No:
Product Description
Catalog Number:
AG0073OZ
Chemical Name:
2-(1h-indol-3-ylmethylidene)cyclohexane-1,3-dione
CAS Number:
40302-36-1
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-(1H-indol-3-ylmethylidene)cyclohexane-1,3-dione
InChI:
InChI=1S/C15H13NO2/c17-14-6-3-7-15(18)12(14)8-10-9-16-13-5-2-1-4-11(10)13/h1-2,4-5,8-9,16H,3,6-7H2
InChI Key:
FHZSANGAJBLBIP-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1=Cc1c[nH]c2c1cccc2
NSC Number:
137791
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 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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