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10210-32-9 | Ethanone, 1-(2-anthracenyl)-
CAS No: 10210-32-9 Catalog No: AG0006ME MDL No:MFCD00156727
Product Description
Catalog Number:
AG0006ME
Chemical Name:
Ethanone, 1-(2-anthracenyl)-
CAS Number:
10210-32-9
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD00156727
IUPAC Name:
1-anthracen-2-ylethanone
InChI:
InChI=1S/C16H12O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-10H,1H3
InChI Key:
DQFWGPPCMONVDS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)cc1c(c2)cccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling. | Physical chemistry chemical physics : PCCP 20100821 |
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