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74495-69-5

Basic Information
CAS No.: 74495-69-5
Name: 2-METHOXY-D3-PHENOL
Article Data: 6
Molecular Structure:
Molecular Structure of 74495-69-5 (2-METHOXY-D3-PHENOL)
Formula: C7H5D3O2
Molecular Weight: 127.115
Synonyms: 2-Methoxy-d3-phenol;
Density: 1.137 g/cm3
Boiling Point: 204.999 °C at 760 mmHg
Flash Point: 83.074 °C
PSA: 29.46000
LogP: 1.40080
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Specification

The Phenol, 2-(methoxy-d3)-, with the CAS registry number 74495-69-5, is also known as 2-Methoxy-d3-phenol. This chemical's molecular formula is C7H5D3O2 and molecular weight is 127.16. What's more, its systematic name is 2-(Trideuteriomethoxy)phenol.

Physical properties about Phenol, 2-(methoxy-d3)- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.341; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.155; (6)ACD/BCF (pH 7.4): 6.139; (7)ACD/KOC (pH 5.5): 127.807; (8)ACD/KOC (pH 7.4): 127.471; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 34.813 cm3; (15)Molar Volume: 111.866 cm3; (16)Polarizability: 13.801×10-24 cm3; (17)Surface Tension: 38.669 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 83.074 °C; (20)Enthalpy of Vaporization: 45.925 kJ/mol; (21)Boiling Point: 204.999 °C at 760 mmHg; (22)Vapour Pressure: 0.179 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])Oc1ccccc1O
(2) InChI: InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i1D3
(3) InChIKey: LHGVFZTZFXWLCP-FIBGUPNXEF