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110876-52-3,MFCD01321179
Catalog No.:AA003HI3
110876-52-3 | (2-Methylnaphthalen-1-yl)(naphthalen-2-yl)methanone
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Technical Information
Catalog Number:
AA003HI3
Chemical Name:
(2-Methylnaphthalen-1-yl)(naphthalen-2-yl)methanone
CAS Number:
110876-52-3
Molecular Formula:
C22H16O
Molecular Weight:
296.3618
MDL Number:
MFCD01321179
IUPAC Name:
(2-methylnaphthalen-1-yl)-naphthalen-2-ylmethanone
InChI:
InChI=1S/C22H16O/c1-15-10-11-17-7-4-5-9-20(17)21(15)22(23)19-13-12-16-6-2-3-8-18(16)14-19/h2-14H,1H3
InChI Key:
GCDFSVMEIZNGPZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C(=O)c1ccc3c(c1)cccc3)cccc2
Properties
Computed Properties
 
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.12g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.369g/mol
Monoisotopic Mass:
296.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

Synonyms
 
110876-52-3 
2-Methyl-1,2'-dinaphthyl Ketone 
MCULE-3515659245 
KS-000017D0 
M1284 
(2-METHYL-1-NAPHTHYL)(2-NAPHTHYL)METHANONE 
(2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone 
2-Methyl-1-naphthyl 2-Naphthyl Ketone 
SCHEMBL2126233 
2-Methyl-1,2'-dinaphthylKetone 
DTXSID10627040 
ZINC2379607 
MFCD01321179 
AKOS024328906 
Literature
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