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165327-36-6 | Pyrene, 4,5-didehydro-
CAS No: 165327-36-6 Catalog No: AG001W2S MDL No:
Product Description
Catalog Number:
AG001W2S
Chemical Name:
Pyrene, 4,5-didehydro-
CAS Number:
165327-36-6
Molecular Formula:
C16H8
Molecular Weight:
200.2347
IUPAC Name:
9,10-didehydropyrene
InChI:
InChI=1S/C16H8/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-7,9H
InChI Key:
OKKBLUFVINTYHN-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c(c1)C#Cc4ccc3
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.24g/mol
Monoisotopic Mass:
200.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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