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87205-99-0

Basic Information
CAS No.: 87205-99-0
Name: Phenanthro[1,2-b]furan-10,11-dione,1,2-dihydro-1,6-dimethyl-, (1R)-
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 87205-99-0 (Phenanthro[1,2-b]furan-10,11-dione,1,2-dihydro-1,6-dimethyl-, (1R)-)
Formula: C18H14O3
Molecular Weight: 278.307
Synonyms: (-)-DihydrotanshinoneI;15,16-Dihydrotanshinone I;Dihydrotanshinone I;Tanshinone I, dihydro-;
EINECS: N/A
Density: 1.32 g/cm3
Melting Point: 214.0 to 218.0 °C
Boiling Point: 479.2 °C at 760 mmHg
Flash Point: 215 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: Xn,N
Risk Codes: 22-50
Safety: 61
Transport Information: N/A
PSA: 43.37000
LogP: 3.29100
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Specification

The Dihydrotanshinone I, with cas registry number 87205-99-0, has the systematic name of 1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione. Besides this, it is also called phenanthro[1,2-b]furan-10,11-dione, 1,2-dihydro-1,6-dimethyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 545.45; (6)ACD/BCF (pH 7.4): 545.45; (7)ACD/KOC (pH 5.5): 3166.46; (8)ACD/KOC (pH 7.4): 3166.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 78.65 cm3; (15)Molar Volume: 210.3 cm3; (16)Polarizability: 31.18×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Enthalpy of Vaporization: 74.35 kJ/mol; (19)Vapour Pressure: 2.41E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C2c3c(C=1OCC(C=1C2=O)C)ccc4c(cccc34)C
(2)InChI: InChI=1/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3
(3)InChIKey: HARGZZNYNSYSGJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3(5)Std. InChIKey: HARGZZNYNSYSGJ-UHFFFAOYSA-N