Cas no 85179-91-5 (1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL-)
85179-91-5 structure
Product Name:1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL-
CAS No:85179-91-5
MF:C11H18O4
MW:214.258224010468
CID:3176798
PubChem ID:458125
Update Time:2025-04-21
1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- 1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL-
- Oprea1_395873
- 4-Methyl-1,1-cyclohexanediacetic acid
- 2,2'-(4-Methylcyclohexane-1,1-diyl)diacetic acid
- 85179-91-5
- SR-01000316918
- HMS1680N11
- SCHEMBL2870420
- AKOS000511675
- 668-163-6
- 2-[1-(carboxymethyl)-4-methyl-cyclohexyl]acetic acid
- Oprea1_598201
- SR-01000316918-1
-
- Inchi: 1S/C11H18O4/c1-8-2-4-11(5-3-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
- InChI Key: OUPWULBQQGPQFX-UHFFFAOYSA-N
- SMILES: OC(CC1(CC(=O)O)CCC(C)CC1)=O
Computed Properties
- Exact Mass: 214.12050905Da
- Monoisotopic Mass: 214.12050905Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 233
- 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: 2.1
- Topological Polar Surface Area: 74.6?2
1,1-CYCLOHEXANEDIACETIC ACID, 4-METHYL- Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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