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Name |
4H-3,1-Benzoxazin-4-one, 2-methoxy-5-methyl- |
EINECS | N/A |
CAS No. | 123101-62-2 | Density | 1.27 g/cm3 |
PSA | 52.33000 | LogP | 1.50500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO3 | Boiling Point | 310.9 °C at 760 mmHg |
Molecular Weight | 191.1834 | Flash Point | 152.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methoxy-5-methyl-benzo[d][1,3]oxazin-4-one; |
The 4H-3,1-Benzoxazin-4-one, 2-methoxy-5-methyl-, with the CAS registry number of 123101-62-2, is also known as 2-Methoxy-5-methyl-benzo[d][1,3]oxazin-4-one. Its molecular formula is C10H9NO3 and molecular weight is 191.1834. What's more, its systematic name is 2-Methoxy-5-methyl-4H-3,1-benzoxazin-4-one.
Physical properties about the 4H-3,1-Benzoxazin-4-one, 2-methoxy-5-methyl- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.06; (6)ACD/BCF (pH 7.4): 18.06; (7)ACD/KOC (pH 5.5): 276.18; (8)ACD/KOC (pH 7.4): 276.18; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.89 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 49.84 cm3; (15)Molar Volume: 149.7 cm3; (16)Surface Tension: 41.2 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 152.9 °C; (19)Enthalpy of Vaporization: 55.18 kJ/mol; (20)Boiling Point: 310.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000582 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CO\C2=N\c1cccc(C)c1C(=O)O2
(2) InChI: InChI=1/C10H9NO3/c1-6-4-3-5-7-8(6)9(12)14-10(11-7)13-2/h3-5H,1-2H3
(3) InChIKey: QMBBFAQLCKOMKI-UHFFFAOYAZ