Cas no 68382-89-8 (Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester)
68382-89-8 structure
Product Name:Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester
CAS No:68382-89-8
MF:C9H19O5P
MW:238.217924356461
CID:393280
PubChem ID:357796
Update Time:2025-04-19
Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester
- Dimethyl (7-hydroxy-2-oxoheptyl)phosphonate
- Dimethyl-7-hydroxy-2-oxoheptyl phosphonate, 95
- 68382-89-8
- SCHEMBL10049892
- MFCD09951914
- AKOS017343624
- 1-dimethoxyphosphoryl-7-hydroxyheptan-2-one
- NSC-617324
- 1-dimethoxyphosphoryl-7-hydroxy-heptan-2-one
- NSC617324
-
- Inchi： 1S/C9H19O5P/c1-13-15(12,14-2)8-9(11)6-4-3-5-7-10/h10H,3-8H2,1-2H3
- InChI Key： CLPVBZKHVXANKQ-UHFFFAOYSA-N
- SMILES： P(CC(CCCCCO)=O)(=O)(OC)OC
Computed Properties
- Exact Mass: 238.09707
- Monoisotopic Mass: 238.09701070g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 221
- 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: 1.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
68382-89-8 (Phosphonic acid, (7-hydroxy-2-oxoheptyl)-, dimethyl ester) Related Products
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