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2091-91-0 | Chrysene, 1,2,3,4,5,6-hexahydro-
CAS No: 2091-91-0 Catalog No: AG002K1E MDL No:
Product Description
Catalog Number:
AG002K1E
Chemical Name:
Chrysene, 1,2,3,4,5,6-hexahydro-
CAS Number:
2091-91-0
Molecular Formula:
C18H18
Molecular Weight:
234.3355
IUPAC Name:
1,2,3,4,5,6-hexahydrochrysene
InChI:
InChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,5,7,10,12H,2,4,6,8-9,11H2
InChI Key:
NPPXRCVNWBUFCO-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)c1CCc3c(c1cc2)cccc3
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.342g/mol
Monoisotopic Mass:
234.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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