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86470-94-2 | 2-[6-(oxiran-2-yl)pyren-1-yl]oxirane
CAS No: 86470-94-2 Catalog No: AG004WHX MDL No:
Product Description
Catalog Number:
AG004WHX
Chemical Name:
2-[6-(oxiran-2-yl)pyren-1-yl]oxirane
CAS Number:
86470-94-2
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
2-[6-(oxiran-2-yl)pyren-1-yl]oxirane
InChI:
InChI=1S/C20H14O2/c1-5-13(17-9-21-17)15-8-4-12-2-6-14(18-10-22-18)16-7-3-11(1)19(15)20(12)16/h1-8,17-18H,9-10H2
InChI Key:
UVZBDPSWZJRYPC-UHFFFAOYSA-N
SMILES:
C1OC1c1ccc2c3c1ccc1c3c(cc2)c(cc1)C1CO1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.33g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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