Cas no 57367-54-1 (4-Methoxy-4-oxo-3-(triphenylphosphoranylidene)-butanoic acid)
57367-54-1 structure
Product Name:4-Methoxy-4-oxo-3-(triphenylphosphoranylidene)-butanoic acid
CAS No:57367-54-1
MF:C23H21O4P
MW:392.384207487106
CID:946891
PubChem ID:10363087
Update Time:2025-04-19
4-Methoxy-4-oxo-3-(triphenylphosphoranylidene)-butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Methoxy-4-oxo-3-(triphenylphosphoranylidene)-butanoic acid
- 4-methoxy-4-oxo-3-(triphenyl-λ<sup>5</sup>-phosphanylidene)butanoic acid
- 2-carboxy-1-methoxycarbonylethylidenetriphenylphosphorane
- 2-carboxy-1-methoxycarbonylethyltriphenylphosphorane
- 57367-54-1
- HNMTZWXMFCUEMQ-UHFFFAOYSA-N
- DTXSID70438755
- SCHEMBL1915303
- DB-397111
- 4-methoxy-4-oxo-3-(triphenylphosphoranylidene)butanoic acid
-
- Inchi： 1S/C23H21O4P/c1-27-23(26)21(17-22(24)25)28(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,24,25)
- InChI Key： HNMTZWXMFCUEMQ-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=C(C(=O)OC)CC(=O)O
Computed Properties
- Exact Mass: 392.11800
- Monoisotopic Mass: 392.11774614g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 541
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 73.41000
- LogP: 2.80060
4-Methoxy-4-oxo-3-(triphenylphosphoranylidene)-butanoic acid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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