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165327-35-5 | Pyrene, 1,2-didehydro-
CAS No: 165327-35-5 Catalog No: AG001W2T MDL No:
Product Description
Catalog Number:
AG001W2T
Chemical Name:
Pyrene, 1,2-didehydro-
CAS Number:
165327-35-5
Molecular Formula:
C16H20
Molecular Weight:
212.3300
IUPAC Name:
6,7-didehydro-1,2,3,3a,4,5,5a,9,10,10a,10b,10c-dodecahydropyrene
InChI:
InChI=1S/C16H20/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h5,11-12,14-16H,1,3-4,7-10H2
InChI Key:
FJYVYVMXKZDXIY-UHFFFAOYSA-N
SMILES:
c1cc2ccc3=CC#Cc4c3c2c(c1)cc4
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.336g/mol
Monoisotopic Mass:
212.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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