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CAS No.: | 42973-55-7 |
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Name: | 3,5-DIMETHOXY-4-HYDROXYPHENYL ACETONITRILE |
Molecular Structure: | |
Formula: | C10H11NO3 |
Molecular Weight: | 193.202 |
Synonyms: | (4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile;3,5-Dimethoxy-4-hydroxyphenylacetonitrile; |
Density: | 1.192 g/cm3 |
Melting Point: | 68-70 °C |
Boiling Point: | 361.1 °C at 760 mmHg |
Flash Point: | 172.2 °C |
Hazard Symbols: | Xi |
PSA: | 62.48000 |
LogP: | 1.47548 |
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The CAS register number of Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- is 42973-55-7. It also can be called as 3,5-Dimethoxy-4-hydroxyphenylacetonitrile and the IUPAC name about this chemical is 2-(4-hydroxy-3,5-dimethoxyphenyl)acetonitrile. The molecular formula about this chemical is C10H11NO3 and the molecular weight is 193.2. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 23.89; (4)ACD/KOC (pH 7.4): 23.78; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 51.48 Å2; (9)Index of Refraction: 1.541; (10)Molar Refractivity: 50.95 cm3; (11)Molar Volume: 162 cm3; (12)Polarizability: 20.19x10-24cm3; (13)Surface Tension: 45.3 dyne/cm; (14)Density: 1.192 g/cm3; (15)Flash Point: 172.2 °C; (16)Enthalpy of Vaporization: 63.08 kJ/mol; (17)Boiling Point: 361.1 °C at 760 mmHg; (18)Vapour Pressure: 1.02E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cc(OC)c(O)c(OC)c1
(2)InChI: InChI=1/C10H11NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3H2,1-2H3
(3)InChIKey: UUEJSSNOWXNKAP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H11NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3H2,1-2H3
(5)Std. InChIKey: UUEJSSNOWXNKAP-UHFFFAOYSA-N