2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one supplier

Name
2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)one
EINECS
CAS No. 15893-52-4
Article Data10
CAS DataBase
Density 1.589 g/cm³
Solubility
Melting Point 150-155 °C
Formula C₉H₉NO₅
Boiling Point 461.3 °C at 760 mmHg
Molecular Weight 211.174
Flash Point 232.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 79.23000
LogP 0.19320

2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one Specification

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

Product Name

2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)one

2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one Specification

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