Cas no 332927-05-6 (3-METHYL-2-OXOPENTANOIC ACID, CALCIUM SALT DIHYDRATE)
332927-05-6 structure
Product Name:3-METHYL-2-OXOPENTANOIC ACID, CALCIUM SALT DIHYDRATE
CAS No:332927-05-6
MF:C12H22CaO8
MW:334.376284122467
CID:1005031
PubChem ID:46911989
Update Time:2025-04-20
3-METHYL-2-OXOPENTANOIC ACID, CALCIUM SALT DIHYDRATE Chemical and Physical Properties
Names and Identifiers
-
- 3-METHYL-2-OXOPENTANOIC ACID, CALCIUM SALT DIHYDRATE
- 3-Methyl-2-oxopentanoic acid calcium salt dihydrate
- J-018024
- AKOS015899801
- Calcium 3-methyl-2-oxopentanoate dihydrate
- 332927-05-6
- 3-Methyl-2-oxopentanoic acid calcium salt hydrate
- calcium 3-methyl-2-oxovalerate hydrate
- calcium;3-methyl-2-oxopentanoate;dihydrate
- 305808-15-5
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- Inchi： 1S/2C6H10O3.Ca.2H2O/c2*1-3-4(2)5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*1H2/q;;+2;;/p-2
- InChI Key： QZPKSONRSMXBTM-UHFFFAOYSA-L
- SMILES： [Ca+2].O=C(C(=O)[O-])C(C)CC.O=C(C(=O)[O-])C(C)CC.O.O
Computed Properties
- Exact Mass: 334.0940585g/mol
- Monoisotopic Mass: 334.0940585g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 123
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 116?2
Experimental Properties
- Melting Point: 262?°C (dec.)(lit.)
3-METHYL-2-OXOPENTANOIC ACID, CALCIUM SALT DIHYDRATE Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
332927-05-6 (3-METHYL-2-OXOPENTANOIC ACID, CALCIUM SALT DIHYDRATE) Related Products
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