Cas no 67492-85-7 (Hexanedioic acid, 2-methyl-2-phosphono-)
67492-85-7 structure
Product Name:Hexanedioic acid, 2-methyl-2-phosphono-
CAS No:67492-85-7
MF:C7H13O7P
MW:240.147683858871
CID:394757
PubChem ID:22117042
Update Time:2025-04-19
Hexanedioic acid, 2-methyl-2-phosphono- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 2-methyl-2-phosphono-
- 2-methyl-2-phosphonohexanedioic acid
- 67492-85-7
- SCHEMBL8017479
- DTXSID40622563
-
- Inchi： 1S/C7H13O7P/c1-7(6(10)11,15(12,13)14)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)
- InChI Key： FIJBDRURCNULES-UHFFFAOYSA-N
- SMILES： P(C(C(=O)O)(C)CCCC(=O)O)(=O)(O)O
Computed Properties
- Exact Mass: 240.03989
- Monoisotopic Mass: 240.03988975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.6
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 132.13
Hexanedioic acid, 2-methyl-2-phosphono- Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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