Cas no 51823-74-6 (1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-)
51823-74-6 structure
Product Name:1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-
CAS No:51823-74-6
MF:C10H14O3
MW:182.216363430023
CID:361299
PubChem ID:15377700
Update Time:2025-04-19
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-
- 2,6,6-trimethyl-3-oxocyclohexene-1-carboxylic acid
- NCJFEURQKCATER-UHFFFAOYSA-N
- 2,6,6-trimethylcyclohex-1-en-3-one-1-carboxylic acid
- SCHEMBL11394565
- DTXSID50572181
- 51823-74-6
- Compound NP-024012
- 2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxylic acid
- AKOS040737327
- 2,6,6-Trimethyl-3-oxocyclohex-1-ene-1-carboxylic acid
-
- Inchi： 1S/C10H14O3/c1-6-7(11)4-5-10(2,3)8(6)9(12)13/h4-5H2,1-3H3,(H,12,13)
- InChI Key： NCJFEURQKCATER-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(C(=O)O)C(C)(C)CC1
Computed Properties
- Exact Mass: 182.09432
- Monoisotopic Mass: 182.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 297
- 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: 1.4
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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