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86470-98-6 | Ethanone,1,1'-(4,5,9,10-tetrahydro-2,7-pyrenediyl)bis-
CAS No: 86470-98-6 Catalog No: AG004MQH MDL No:
Product Description
Catalog Number:
AG004MQH
Chemical Name:
Ethanone,1,1'-(4,5,9,10-tetrahydro-2,7-pyrenediyl)bis-
CAS Number:
86470-98-6
Molecular Formula:
C20H18O2
Molecular Weight:
290.3557
IUPAC Name:
1-(7-acetyl-4,5,9,10-tetrahydropyren-2-yl)ethanone
InChI:
InChI=1S/C20H18O2/c1-11(21)17-7-13-3-5-15-9-18(12(2)22)10-16-6-4-14(8-17)19(13)20(15)16/h7-10H,3-6H2,1-2H3
InChI Key:
XBFPUOPDYTZYER-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2CCc3c4c2c(c1)CCc4cc(c3)C(=O)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.362g/mol
Monoisotopic Mass:
290.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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