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| CAS No.: | 1424-74-4 |
|---|---|
| Name: | 3-(3-Hydroxy-propyl)-phenol |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | 3-(3-Hydroxyphenyl)-1-propanol; |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 313.566 °C at 760 mmHg |
| Flash Point: | 155.641 °C |
| PSA: | 40.46000 |
| LogP: | 1.31710 |
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Specification
The CAS register number of 3-(3-Hydroxy-propyl)-phenol is 1424-74-4. It also can be called as 3-(3-Hydroxyphenyl)-1-propanol. The molecular formula about this chemical is C9H12O2 and the molecular weight is 152.19038.
Physical properties about 3-(3-Hydroxy-propyl)-phenol are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 100; (7)ACD/KOC (pH 7.4): 99; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 40.46 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 43.851 cm3; (14)Molar Volume: 134.693 cm3; (15)Polarizability: 17.384x10-24cm3; (16)Surface Tension: 48.47 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 155.641 °C; (19)Enthalpy of Vaporization: 58.561 kJ/mol; (20)Boiling Point: 313.566 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1)CCCO
(2)InChI: InChI=1/C9H12O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,10-11H,2,4,6H2
(3)InChIKey: TVQDIGAZKJXXLX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H12O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,10-11H,2,4,6H2
(5)Std. InChIKey: TVQDIGAZKJXXLX-UHFFFAOYSA-N