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CAS NO.621-23-8
1. Introduction of 1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene (CAS NO.621-23-8) is a similar white to slight yellow crystal. The chemical name of this product is the 1,3,5-trimethoxybenzene. Besides, this product belongs to the Aromatic Ethers; ACTIVE PHARMACEUTICAL INGREDIENTS; Benzene derivates.
2. Basic information of 1,3,5-Trimethoxybenzene
1) Properties:
(1)XLogP3: 2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 3; (5)Exact Mass: 168.078644; (6)MonoIsotopic Mass: 168.078644; (7)Topological Polar Surface Area: 27.7; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 91.2; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 3; (18)Feature 3D Ring Count: 1; (19)Effective Rotor Count: 3; (20)Conformer Sampling RMSD: 0.6.
2) Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 54.5 | deg C | EXP | |
Boiling Point | 255.5 | deg C | EXP | |
log P (octanol-water) | 2.240 | (none) | EST | |
Atmospheric OH Rate Constant | 2.02E-10 | cm3/molecule-sec | 25 | EST |
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