Cas no 6274-52-8 ( )
structure
Product Name:
CAS No:6274-52-8
MF:C10H16O4
MW:200.231643676758
CID:957600
PubChem ID:235763
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-carboxypropyl)cyclopentane-1-carboxylic acid
- 1-Carboxy-1-(3-carboxypropyl)-cyclopentan
- 4-(1-Butylhexyl)-phenol
- 4-(1-Carboxy-1-methyl-aethoxy)-benzoesaeure
- 4-(1-carboxy-1-methyl-ethoxy)-benzoic acid
- 4-(1-Carboxy-cyclopentyl)-buttersaeure
- 4-(1-carboxy-cyclopentyl)-butyric acid
- 4-(5-decyl)phenol
- 4-carboxyphenoxyisobutyric acid
- CTK2A4107
- Phenol, 4-(1-butylhexyl)-
- MLS002608046
- HMS3080N05
- 1-(3-carboxypropyl)cyclopentanecarboxylic acid
- SMR001526797
- 6274-52-8
- 1-(4-hydroxy-4-oxobutyl)cyclopentane-1-carboxylic acid
- SCHEMBL220706
- NSC37497
- CHEMBL1870777
- CBDivE_002406
- NSC-37497
- DTXSID80867411
-
-
- Inchi： 1S/C10H16O4/c11-8(12)4-3-7-10(9(13)14)5-1-2-6-10/h1-7H2,(H,11,12)(H,13,14)
- InChI Key： DTDTXONWPPWOIN-UHFFFAOYSA-N
- SMILES： OC(C1(CCCC(=O)O)CCCC1)=O
Computed Properties
- Exact Mass: 200.10488
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 228
- 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: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 1.88630
Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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