Cas no 50329-18-5 (1,2,3,4,5,6-Cyclohexanehexacarboxylicacid, sodium salt (1:5))
50329-18-5 structure
Product Name:1,2,3,4,5,6-Cyclohexanehexacarboxylicacid, sodium salt (1:5)
CAS No:50329-18-5
MF:C12H7Na5O12
MW:458.125639200211
CID:380092
PubChem ID:170830
Update Time:2025-04-19
1,2,3,4,5,6-Cyclohexanehexacarboxylicacid, sodium salt (1:5) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,4,5,6-Cyclohexanehexacarboxylicacid, sodium salt (1:5)
- pentasodium,6-carboxycyclohexane-1,2,3,4,5-pentacarboxylate
- 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid, pentasodium salt
- Pentasodium hydrogen 1,2,3,4,5,6-cyclohexanehexacarboxylate
- 50329-18-5
- pentasodium;6-carboxycyclohexane-1,2,3,4,5-pentacarboxylate
- FT-0699864
- DTXSID90889745
- 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid, sodium salt (1:5)
- EINECS 256-547-2
-
- Inchi： 1S/C12H12O12.5Na/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;;;;;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;;/q;5*+1/p-5
- InChI Key： FZVGHDJZKFKMAP-UHFFFAOYSA-I
- SMILES： [Na+].[Na+].[Na+].[Na+].[Na+].OC(C1C(C(=O)[O-])C(C(=O)[O-])C(C(=O)[O-])C(C(=O)[O-])C1C(=O)[O-])=O
Computed Properties
- Exact Mass: 457.94261
- Monoisotopic Mass: 457.943
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 554
- Covalently-Bonded Unit Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 238A^2
Experimental Properties
- Boiling Point: 598.5°C at 760 mmHg
- Flash Point: 329.8°C
- PSA: 237.95
1,2,3,4,5,6-Cyclohexanehexacarboxylicacid, sodium salt (1:5) Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
50329-18-5 (1,2,3,4,5,6-Cyclohexanehexacarboxylicacid, sodium salt (1:5)) Related Products
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
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- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 943-29-3(4-tert-Butycyclohexanecarboxylic Acid)
- 828-51-3(Adamantane-1-carboxylic acid)
- 99-66-1(Valproic acid)
- 1076-97-7(1,4-Cyclohexanedicarboxylic Acid)
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