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680997-44-8 | Methanone, [1,2'-binaphthalen]-1'-yl-1-naphthalenyl-
CAS No: 680997-44-8 Catalog No: AG006FZH MDL No:
Product Description
Catalog Number:
AG006FZH
Chemical Name:
Methanone, [1,2'-binaphthalen]-1'-yl-1-naphthalenyl-
CAS Number:
680997-44-8
Molecular Formula:
C31H20O
Molecular Weight:
408.4899
IUPAC Name:
naphthalen-1-yl-(2-naphthalen-1-ylnaphthalen-1-yl)methanone
InChI:
InChI=1S/C31H20O/c32-31(29-18-8-13-22-10-2-5-15-25(22)29)30-26-16-6-3-11-23(26)19-20-28(30)27-17-7-12-21-9-1-4-14-24(21)27/h1-20H
InChI Key:
WDUJDMUCBQJBRD-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2ccc1c1cccc2c1cccc2)c1cccc2c1cccc2
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.151g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.5g/mol
Monoisotopic Mass:
408.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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