2H-1-Benzopyran-2-one,7,8-dihydroxy-4-propyl- supplier

Name
7,8-DIHYDROXY-4-PROPYLCOUMARIN
EINECS
CAS No. 19040-67-6
Article Data3
CAS DataBase
Density 1.326 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂O₄
Boiling Point 429.242 °C at 760 mmHg
Molecular Weight 220.225
Flash Point 170.814 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coumarin,7,8-dihydroxy-4-propyl- (8CI);7,8-Dihydroxy-4-propylcoumarin;
PSA 70.67000
LogP 2.15670

2H-1-Benzopyran-2-one,7,8-dihydroxy-4-propyl- Specification

The CAS register number of 2H-1-Benzopyran-2-one,7,8-dihydroxy-4-propyl- is 19040-67-6. It also can be called as 7,8-Dihydroxy-4-propylcoumarin and the systematic name about this chemical is 7,8-dihydroxy-4-propyl-2H-chromen-2-one. The molecular formula about this chemical is C₁₂H₁₂O₄ and the molecular weight is 220.22128.

Physical properties about 2H-1-Benzopyran-2-one,7,8-dihydroxy-4-propyl- are: (1)ACD/LogP: 1.98; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 114; (5)ACD/BCF (pH 7.4): 62; (6)ACD/KOC (pH 5.5): 1029; (7)ACD/KOC (pH 7.4): 558; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.76 Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 57.485 cm³; (14)Molar Volume: 166.028 cm³; (15)Polarizability: 22.789x10^-24cm³; (16)Surface Tension: 55.205 dyne/cm; (17)Density: 1.326 g/cm³; (18)Flash Point: 170.814 °C; (19)Enthalpy of Vaporization: 71.097 kJ/mol; (20)Boiling Point: 429.242 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1c(O)c(O)ccc1\C(=C\2)CCC
(2)InChI: InChI=1/C12H12O4/c1-2-3-7-6-10(14)16-12-8(7)4-5-9(13)11(12)15/h4-6,13,15H,2-3H2,1H3
(3)InChIKey: PHPUSFBIYOLWBJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H12O4/c1-2-3-7-6-10(14)16-12-8(7)4-5-9(13)11(12)15/h4-6,13,15H,2-3H2,1H3
(5)Std. InChIKey: PHPUSFBIYOLWBJ-UHFFFAOYSA-N

Product Name

7,8-DIHYDROXY-4-PROPYLCOUMARIN

2H-1-Benzopyran-2-one,7,8-dihydroxy-4-propyl- Specification

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