Cas no 51111-28-5 ( )
structure
Product Name:
CAS No:51111-28-5
MF:C12H20O4
MW:228.284804344177
CID:934745
PubChem ID:293129
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (4,4-dimethyl-cyclohexylidene)-di-acetic acid; 2,2'-(4,4-dimethylcyclohexane-1,1-diyl)diacetic acid; NSC159449; CTK4J3651; AR-1D0109; 3,3-(4',4'-Dimethylpentamethylen)glutarsaeure; AC1L6JIC; (4,4-Dimethyl-cyclohexyliden)-di-essigsaeure; AC1Q5VGO; AG-J-31474;
- DTXSID70303631
- 51111-28-5
- NSC159449
- NSC-159449
- 2,2'-(4,4-dimethylcyclohexane-1,1-diyl)diacetic acid
-
-
- Inchi： 1S/C12H20O4/c1-11(2)3-5-12(6-4-11,7-9(13)14)8-10(15)16/h3-8H2,1-2H3,(H,13,14)(H,15,16)
- InChI Key： AYBICQCXGRPBLK-UHFFFAOYSA-N
- SMILES： OC(CC1(CC(=O)O)CCC(C)(C)CC1)=O
Computed Properties
- Exact Mass: 228.1362
- Monoisotopic Mass: 228.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 265
- 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
- XLogP3: 2.5
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
51111-28-5 ( ) Related Products
- 626-51-7(3-Methylglutaric acid)
- 4839-46-7(3,3-Dimethylglutaric Acid)
- 646-07-1(4-Methylpentanoic acid)
- 16713-66-9(1,1-Cyclopentanediacetic acid)
- 16493-80-4(4-Ethyloctanoic acid)
- 1730-92-3((3S)-3-methylpentanoic acid)
- 1070-83-3(3,3-Dimethylbutyric acid)
- 105-43-1(3-methylpentanoic acid)
- 943-29-3(4-tert-Butycyclohexanecarboxylic Acid)
- 828-51-3(Adamantane-1-carboxylic acid)
Recommended suppliers
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
