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| CAS No.: | 61451-78-3 |
|---|---|
| Name: | HMPPA |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H9O3P |
| Molecular Weight: | 172.12 |
| Synonyms: | Phosphinicacid, (hydroxymethyl)phenyl- (9CI);Hydroxymethyl(phenyl)phosphinic acid; |
| Density: | 1.348 g/cm3 |
| Boiling Point: | 445.008 °C at 760 mmHg |
| Flash Point: | 222.933 °C |
| Solubility: | 1704g/L(34.29 oC) |
| PSA: | 80.67000 |
| LogP: | 1.02070 |
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Specification
The Hydroxymethylphenylphosphinic acid, with the CAS registry number 61451-78-3, is also known as Phosphinicacid, (hydroxymethyl)phenyl- (9CI). This chemical's molecular formula is C7H9O3P and molecular weight is 172.12. What's more, its systematic name is (Hydroxymethyl)phenylphosphinic acid.
Physical properties of Hydroxymethylphenylphosphinic acid are: (1)ACD/LogP: 0.221; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -3.27; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.34 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 41.189 cm3; (15)Molar Volume: 127.652 cm3; (16)Polarizability: 16.329×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 222.933 °C; (20)Enthalpy of Vaporization: 74.081 kJ/mol; (21)Boiling Point: 445.008 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OP(=O)(CO)c1ccccc1
(2)Std. InChI: InChI=1S/C7H9O3P/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,9,10)
(3)Std. InChIKey: SYBJZXZBVFWDAO-UHFFFAOYSA-N