Cas no 174276-11-0 (Propanoicacid, 3-phosphono-, 1-methyl ester)
174276-11-0 structure
Product Name:Propanoicacid, 3-phosphono-, 1-methyl ester
CAS No:174276-11-0
MF:C4H9O5P
MW:168.085022687912
CID:111697
PubChem ID:53436976
Update Time:2025-04-18
Propanoicacid, 3-phosphono-, 1-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoicacid, 3-phosphono-, 1-methyl ester
- METHYL PHOSPHONOPROPANOATE
- Methyl-3-phosphonopropanoate
- Methyl-3-phosphonopropanoate, 98 %
- (3-methoxy-3-oxopropyl)phosphonic acid
- (3-Methoxy-3-oxo-propyl)phosphonic acid
- SCHEMBL23829725
- AKOS006284235
- 174276-11-0
- MFCD08063244
-
- Inchi： 1S/C4H9O5P/c1-9-4(5)2-3-10(6,7)8/h2-3H2,1H3,(H2,6,7,8)
- InChI Key： FOZXLPLPOJDCQT-UHFFFAOYSA-N
- SMILES： P(CCC(=O)OC)(=O)(O)O
Computed Properties
- Exact Mass: 168.01900
- Monoisotopic Mass: 168.01876038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 159
- 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: -1.8
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 93.64000
- LogP: -0.27280
Propanoicacid, 3-phosphono-, 1-methyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jason Wan Lab Chip, 2020,20, 4528-4538
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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