Cas no 138002-07-0 (Cyclohexanecarboxylic acid, 1,2-dihydroxy- (9CI))
138002-07-0 structure
Product Name:Cyclohexanecarboxylic acid, 1,2-dihydroxy- (9CI)
CAS No:138002-07-0
MF:C7H12O4
MW:160.167782783508
CID:1248001
PubChem ID:15174090
Update Time:2025-04-20
Cyclohexanecarboxylic acid, 1,2-dihydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarboxylic acid, 1,2-dihydroxy- (9CI)
- SCHEMBL2832691
- DB-275372
- 138002-07-0
- 1,2-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
- Cyclohexanecarboxylic acid, 1,2-dihydroxy-
-
- Inchi： 1S/C7H12O4/c8-5-3-1-2-4-7(5,11)6(9)10/h5,8,11H,1-4H2,(H,9,10)
- InChI Key： BFEVGTMIYGOLSI-UHFFFAOYSA-N
- SMILES： OC1(C(=O)O)CCCCC1O
Computed Properties
- Exact Mass: 160.07356
- Monoisotopic Mass: 160.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
Cyclohexanecarboxylic acid, 1,2-dihydroxy- (9CI) Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
138002-07-0 (Cyclohexanecarboxylic acid, 1,2-dihydroxy- (9CI)) Related Products
- 5949-29-1(Citric acid monohydrate)
- 6100-05-6(Potassium citrate monohydrate)
- 10402-15-0(Copper Citrate)
- 866-83-1(Potassium Citrate Monobasic)
- 77-92-9(Citric acid)
- 77-95-2(D(-)-Quinic Acid)
- 3012-65-5(Diammonium hydrogen citrate)
- 1123-28-0(1-Hydroxycyclohexanecarboxylic acid)
- 6205-14-7(Hydroxycitric Acid (Technical Grade))
- 7778-49-6(Potassium citrate)
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