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28707-60-0 | 8-(phenylmethylidene)-5,6,7,8-tetrahydroquinoline
CAS No: 28707-60-0 Catalog No: AG01A71W MDL No:MFCD18432377
Product Description
Catalog Number:
AG01A71W
Chemical Name:
8-(phenylmethylidene)-5,6,7,8-tetrahydroquinoline
CAS Number:
28707-60-0
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
MDL Number:
MFCD18432377
IUPAC Name:
8-benzylidene-6,7-dihydro-5H-quinoline
InChI:
InChI=1S/C16H15N/c1-2-6-13(7-3-1)12-15-9-4-8-14-10-5-11-17-16(14)15/h1-3,5-7,10-12H,4,8-9H2
InChI Key:
MIVJDFRJYARCBN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=C1CCCc2c1nccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 5,6,7,8-Tetra-hydro-quinolin-8-one. | Acta crystallographica. Section E, Structure reports online 20110601 |
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