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78-09-1 supplier Tetraethyl orthocarbonate China Tetraethyl orthocarbonate 99% min
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1. Introduction of Tetraethyl orthocarbonate
The Tetraethyl orthocarbonate, with its CAS NO 78-09-1, is a kind of Colourless transparent liquid. It has synonyms of Tetraethylorthocarbonate;Orthocarbonicacid, tetraethyl ester (6CI,7CI,8CI);NSC 28574;Tetraethoxymethane;(triethoxymethoxy)ethane and Ethane, 1,1',1'',1'''-(methanetetrayltetrakis(oxy))tetrakis-.
2. Properties of Tetraethyl orthocarbonate
Molecular Weight 192.2527 [g/mol]
Molecular Formula C9H20O4
XLogP3-AA 1.3
H-Bond Acceptor 4
Rotatable Bond Count 8
Exact Mass 192.136159
MonoIsotopic Mass 192.136159
Topological Polar Surface Area 36.9
Heavy Atom Count 13
Complexity 86.7
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 4
Effective Rotor Count 8
Conformer Sampling RMSD 0.8
CID Conformer Count 18
3. Structure descriptors of Tetraethyl orthocarbonate
IUPAC Name: triethoxymethoxyethane
InChI: InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N
Canonical SMILES : CCOC(OCC)(OCC)OCC
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