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1. Introduction of Triethyl orthobutyrate
The Triethyl orthobutyrate, with its CAS NO 24964-76-9, is a kind of Colourless liquid. It has synonyms of Orthobutyricacid, triethyl ester (8CI);1,1,1-Triethoxybutane;Ethyl orthobutyrate;NSC646223;Triethyl orthobutanoate and Triethyl orthobutyrate.
2. Properties of Triethyl orthobutyrate
Molecular Weight 190.27988 [g/mol]
Molecular Formula C10H22O3
XLogP3 2.3
H-Bond Acceptor 3
Rotatable Bond Count 8
Exact Mass 190.156895
MonoIsotopic Mass 190.156895
Topological Polar Surface Area 27.7
Heavy Atom Count 13
Complexity 97.7
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 3
Feature 3D Hydrophobe Count 1
Effective Rotor Count 8
Conformer Sampling RMSD 0.8
CID Conformer Count 13
3. Structure descriptors of Triethyl orthobutyrate
IUPAC Name: 1,1,1-triethoxybutane
InChI: InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
Canonical SMILES : CCCC(OCC)(OCC)OCC
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