Dihydrotanshinone I supplier | CasNO.87205-99-0

Name
Dihydrotanshinone I
EINECS
CAS No. 87205-99-0
Article Data4
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 214.0 to 218.0 °C
Formula C₁₈H₁₄O₃
Boiling Point 479.2 °C at 760 mmHg
Molecular Weight 278.307
Flash Point 215 °C
Transport Information
Appearance
Safety 61
Risk Codes 22-50
Molecular Structure
Hazard Symbols Xn,N
Synonyms (-)-DihydrotanshinoneI;15,16-Dihydrotanshinone I;Dihydrotanshinone I;Tanshinone I, dihydro-;
PSA 43.37000
LogP 3.29100

Dihydrotanshinone I 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

Product Name

Dihydrotanshinone I

Dihydrotanshinone I Specification

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