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28858-01-7 | 1H-Indene-2-carbonitrile, 2,3-dihydro-1-oxo-3-phenyl-
CAS No: 28858-01-7 Catalog No: AG002WV3 MDL No:
Product Description
Catalog Number:
AG002WV3
Chemical Name:
1H-Indene-2-carbonitrile, 2,3-dihydro-1-oxo-3-phenyl-
CAS Number:
28858-01-7
Molecular Formula:
C16H11NO
Molecular Weight:
233.2646
IUPAC Name:
3-oxo-1-phenyl-1,2-dihydroindene-2-carbonitrile
InChI:
InChI=1S/C16H11NO/c17-10-14-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(14)18/h1-9,14-15H
InChI Key:
JQITZNWYBYBXNR-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)c2c(C1c1ccccc1)cccc2
NSC Number:
108751
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.27g/mol
Monoisotopic Mass:
233.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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