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85985-44-0 | 9-Anthraceneacetonitrile, alpha-oxo-
CAS No: 85985-44-0 Catalog No: AG004M6C MDL No:
Product Description
Catalog Number:
AG004M6C
Chemical Name:
9-Anthraceneacetonitrile, alpha-oxo-
CAS Number:
85985-44-0
Molecular Formula:
C16H9NO
Molecular Weight:
231.2488
IUPAC Name:
anthracene-9-carbonyl cyanide
InChI:
InChI=1S/C16H9NO/c17-10-15(18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9H
InChI Key:
FMKFDGUBVPIERQ-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.254g/mol
Monoisotopic Mass:
231.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Fluorescent high-performance liquid chromatography assay for lipophilic alcohols. | Analytical biochemistry 20111201 |
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