Cas no 1874-83-5 (cyclohexane-1,3-dione, monosodium salt)
1874-83-5 structure
Product Name:cyclohexane-1,3-dione, monosodium salt
CAS No:1874-83-5
MF:C6H7NaO2
MW:134.108352899551
CID:1379437
PubChem ID:56842219
Update Time:2025-04-20
cyclohexane-1,3-dione, monosodium salt Chemical and Physical Properties
Names and Identifiers
-
- cyclohexane-1,3-dione, monosodium salt
- 1,3-cyclohexanedione, sodium salt
- EINECS 217-504-3
- NS00078205
- DWXRESUIDQOZEV-UHFFFAOYSA-N
- 1874-83-5
- DTXSID00172054
- EC 217-504-3
-
- Inchi： 1S/C6H7O2.Na/c7-5-2-1-3-6(8)4-5;/h4H,1-3H2;/q-1;+1
- InChI Key： DWXRESUIDQOZEV-UHFFFAOYSA-N
- SMILES： [Na+].O=C1[CH-]C(CCC1)=O
Computed Properties
- Exact Mass: 134.03441
- Monoisotopic Mass: 295.103726
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 176
- 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
- Topological Polar Surface Area: 27.7
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 40.13
cyclohexane-1,3-dione, monosodium salt Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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4. 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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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