Cas no 112537-95-8 ((4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium,chloride)
112537-95-8 structure
Product Name:(4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium,chloride
CAS No:112537-95-8
MF:C23H22ClO2P
MW:396.846346378326
CID:2609023
PubChem ID:71336546
Update Time:2025-04-21
(4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium,chloride Chemical and Physical Properties
Names and Identifiers
-
- (4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium,chloride
- (4-Methoxy-4-oxobut-2-en-1-yl)(triphenyl)phosphanium chloride
- DTXSID60764353
- 112537-95-8
-
- Inchi： 1S/C23H22O2P.ClH/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-18H,19H2,1H3;1H/q+1;/p-1
- InChI Key： ISADPXNVZAOMJL-UHFFFAOYSA-M
- SMILES： [Cl-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC=CC(=O)OC
Computed Properties
- Exact Mass: 396.1045946Da
- Monoisotopic Mass: 396.1045946Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 409
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 26.3?2
(4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium,chloride Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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