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2039-76-1 | Ethanone, 1-(3-phenanthrenyl)-
CAS No: 2039-76-1 Catalog No: AG00296C MDL No:MFCD00001169
Product Description
Catalog Number:
AG00296C
Chemical Name:
Ethanone, 1-(3-phenanthrenyl)-
CAS Number:
2039-76-1
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD00001169
IUPAC Name:
1-phenanthren-3-ylethanone
InChI:
InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
InChI Key:
JKVNPRNAHRHQDD-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)c1ccccc1cc2
EC Number:
218-020-5
NSC Number:
3192
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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