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16306-39-1 | Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-
CAS No: 16306-39-1 Catalog No: AG001TND MDL No:
Product Description
Catalog Number:
AG001TND
Chemical Name:
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-
CAS Number:
16306-39-1
Molecular Formula:
C14H18
Molecular Weight:
186.2927
IUPAC Name:
1,2,3,4,4a,9,10,10a-octahydrophenanthrene
InChI:
InChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3,5,7,12,14H,2,4,6,8-10H2
InChI Key:
KFGROPZLGDSAPK-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)c1ccccc1CC2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.298g/mol
Monoisotopic Mass:
186.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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