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70561-39-6 | Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-4a-methyl-, trans-
CAS No: 70561-39-6 Catalog No: AG005I1B MDL No:
Product Description
Catalog Number:
AG005I1B
Chemical Name:
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-4a-methyl-, trans-
CAS Number:
70561-39-6
Molecular Formula:
C15H20
Molecular Weight:
200.3193
IUPAC Name:
(4aS,10aR)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
InChI:
InChI=1S/C15H20/c1-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h2-3,6,8,13H,4-5,7,9-11H2,1H3/t13-,15+/m1/s1
InChI Key:
MKYPXWHSIZXOQQ-HIFRSBDPSA-N
SMILES:
C[C@]12CCCC[C@@H]1CCc1c2cccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
200.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.325g/mol
Monoisotopic Mass:
200.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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