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113984-18-2 | Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-4a-2-propen-1-yl-
CAS No: 113984-18-2 Catalog No: AG000A8D MDL No:
Product Description
Catalog Number:
AG000A8D
Chemical Name:
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-4a-2-propen-1-yl-
CAS Number:
113984-18-2
Molecular Formula:
C17H22
Molecular Weight:
226.3566
IUPAC Name:
4a-prop-2-enyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
InChI:
InChI=1S/C17H22/c1-2-12-17-13-6-5-8-15(17)11-10-14-7-3-4-9-16(14)17/h2-4,7,9,15H,1,5-6,8,10-13H2
InChI Key:
BKQRCAOEYVYVQE-UHFFFAOYSA-N
SMILES:
C=CCC12CCCCC1CCc1c2cccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.172g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.363g/mol
Monoisotopic Mass:
226.172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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