USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
identification and related records
【name】
phenanthrene,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-
【iupac name】
1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1h-phenanthrene
【cas registry number】
5323-56-8
【synonyms】
phenanthrene,1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethyl- (8ci)
dehydroabietin
nsc 2782
nordehydroabietane
【molecular formula】
c19h28 (products with the same molecular formula)
【molecular weight】
256.43
【inchi】
inchi=1/c19h28/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-14,17h,5-6,8-9,11h2,1-4h3
【canonical smiles】
cc1cccc2(c1ccc3=c2c=cc(=c3)c(c)c)c
【mol file】
5323-56-8.mol
chemical and physical properties
【density】
0.939 g/cm3
【boiling point】
339.9 °c at 760 mmhg
【refractive index】
1.52
【flash point】
157.8 °c
【computed properties】
molecular weight:256.42562 [g/mol]
molecular formula:c19h28
xlogp3-aa:6.7
h-bond donor:0
h-bond acceptor:0
rotatable bond count:1
exact mass:256.219101
monoisotopic mass:256.219101
topological polar surface area:0
heavy atom count:19
formal charge:0
complexity:318
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:3
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d hydrophobe count:1
feature 3d ring count:3
effective rotor count:2.2
conformer sampling rmsd:0.6
cid conformer count:28