Gona-1,3,5,7,9,11,13-heptaen-17-one supplier

Name
15,16-dihydrocyclopenta(a)phenanthren-17-one
EINECS
CAS No. 786-66-3
Article Data2
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₂O
Boiling Point 447.9 °C at 760 mmHg
Molecular Weight 232.282
Flash Point 201.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 17H-Cyclopenta[a]phenanthren-17-one,15,16-dihydro- (7CI,8CI,9CI);15,16-Dihydrocyclopenta[a]phenanthren-17-one;gona-1(10),2,4,6,8,11,13-heptaen-17-one;
PSA 17.07000
LogP 4.12190

Gona-1,3,5,7,9,11,13-heptaen-17-one Specification

The Gona-1,3,5,7,9,11,13-heptaen-17-one, with the CAS registry number 786-66-3, has the systematic name of gona-1(10),2,4,6,8,11,13-heptaen-17-one. It is also called 15,16-dihydrocyclopenta[a]phenanthren-17-one. And the molecular formula of the chemical is C₁₇H₁₂O.

The characteristics of Gona-1,3,5,7,9,11,13-heptaen-17-one are as followings: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1721.92; (6)ACD/BCF (pH 7.4): 1721.92; (7)ACD/KOC (pH 5.5): 7210.01; (8)ACD/KOC (pH 7.4): 7210.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 74.24 cm³; (15)Molar Volume: 183.2 cm³; (16)Polarizability: 29.43×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.267 g/cm³; (19)Flash Point: 201.6 °C; (20)Enthalpy of Vaporization: 70.64 kJ/mol; (21)Boiling Point: 447.9 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C4c2c(c1ccc3c(c1cc2)cccc3)CC4
(2)InChI: InChI=1/C17H12O/c18-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-8H,9-10H2
(3)InChIKey: HODITXUVHFRFCL-UHFFFAOYAD

Product Name

15,16-dihydrocyclopenta(a)phenanthren-17-one

Gona-1,3,5,7,9,11,13-heptaen-17-one Specification

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