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1. Introduction ofDimethylbisdiphenylphosphinoxanthene
The Dimethylbisdiphenylphosphinoxanthene, …
Details:
1. Introduction of Dimethylbisdiphenylphosphinoxanthene
The Dimethylbisdiphenylphosphinoxanthene, with its CAS NO 161265-03-8, is a kind of white powder. It has synonyms of 9,9-dimethyl-4,5-bis(diphenylphosphino)-9H-xanthene;9,10a-dihydro-9,9-dimethyl-4,5-bis(diphenylphosphino)-8aH-xanthene;Phosphine,(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[diphenyl- (9CI) and (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[diphenylphosphine].
2. Properties of Dimethylbisdiphenylphosphinoxanthene
(1) H-Bond Donor 2 (2) H-Bond Acceptor 4 (3) Rotatable Bond Count 3
(4) Tautomer Count 9 (5) Exact Mass 180.042259 (6) MonoIsotopic Mass 180.042259
(7) Topological Polar Surface Area 74.6 (8) Heavy Atom Count 13 (9) Complexity 204
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D Acceptor Count 3 (12) Feature 3D Donor Count 1
(13) Feature 3D Anion Count 1 (14) Feature 3D Ring Count 1 (15) Effective Rotor Count 3
(16) Conformer Sampling RMSD 0.6 (17) CID Conformer Count 9
3. Structure descriptors of Dimethylbisdiphenylphosphinoxanthene
IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChIKey: KKADPXVIOXHVKN-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1CC(=O)C(=O)O)O
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