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2039-77-2 | Ethanone, 1-(9-phenanthrenyl)-
CAS No: 2039-77-2 Catalog No: AG00296B MDL No:MFCD00001176
Product Description
Catalog Number:
AG00296B
Chemical Name:
Ethanone, 1-(9-phenanthrenyl)-
CAS Number:
2039-77-2
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD00001176
IUPAC Name:
1-phenanthren-9-ylethanone
InChI:
InChI=1S/C16H12O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3
InChI Key:
UIFAWZBYTTXSOG-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2ccccc2c2c1cccc2
EC Number:
218-021-0
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:
4.1
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