Products Categories
CAS No.: | 15893-52-4 |
---|---|
Name: | 2H-1,4-Benzoxazin-3(4H)-one,2,4-dihydroxy-7-methoxy- |
Article Data: | 10 |
Cas Database | |
Molecular Structure: | |
Formula: | C9H9NO5 |
Molecular Weight: | 211.174 |
Synonyms: | 1,4-Benzoxazin-3-one, 2,4-dihydroxy-7-methoxy-;2,3-Dihydro-2,4-dihydroxy-7-methoxy-4H-1,4-benzoxazin-3-one;2,4-Dihydroxy-3-keto-7-methoxy-1,4-benzoxazine;2,4-Dihydroxy-7-methoxy-1,4-(2H)-benzoxazin-3-one;2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3-one;2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3[4H]-one;2,4-Dihydroxy-7-methoxy-4H-1,4-benzoxazin-3(2H)-one;DIMBOA; |
EINECS: | N/A |
Density: | 1.589 g/cm3 |
Melting Point: | 150-155 °C |
Boiling Point: | 461.3 °C at 760 mmHg |
Flash Point: | 232.8 °C |
Solubility: | N/A |
Appearance: | N/A |
Hazard Symbols: | N/A |
Risk Codes: | N/A |
Safety: | |
Transport Information: | N/A |
PSA: | 79.23000 |
LogP: | 0.19320 |
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
The 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one with CAS registry number of 15893-52-4 is also known as 2H-1,4-Benzoxazin-3(4H)-one,2,4-dihydroxy-7-methoxy-. The IUPAC name and product name are the same. In addition, the formula is C9H9NO5 and the molecular weight is 211.17.
Physical properties about 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one are: (1)ACD/LogP: -1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 2.54; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 48.97 cm3; (14)Molar Volume: 132.8 cm3; (15)Surface Tension: 78 dyne/cm; (16)Density: 1.589 g/cm3; (17)Flash Point: 232.8 °C; (18)Enthalpy of Vaporization: 76.08 kJ/mol; (19)Boiling Point: 461.3 °C at 760 mmHg; (20)Vapour Pressure: 2.64E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES:O=C1N(O)c2c(OC1O)cc(OC)cc2
2. InChI:InChI=1/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
3. InChIKey:GDNZNIJPBQATCZ-UHFFFAOYAE
4. Std. InChI:InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
5. Std. InChIKey:GDNZNIJPBQATCZ-UHFFFAOYSA-N