Cas no 292043-69-7 (1-Cyclopentene-1-carboxylicacid, 3,3-dimethyl-5-oxo-)
292043-69-7 structure
Product Name:1-Cyclopentene-1-carboxylicacid, 3,3-dimethyl-5-oxo-
CAS No:292043-69-7
MF:C8H10O3
MW:154.163202762604
CID:249104
PubChem ID:45084792
Update Time:2025-04-19
1-Cyclopentene-1-carboxylicacid, 3,3-dimethyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclopentene-1-carboxylicacid, 3,3-dimethyl-5-oxo-
- 1-Cyclopentene-1-carboxylicacid,3,3-dimethyl-5-oxo-(9CI)
- 3,3-dimethyl-5-oxocyclopentene-1-carboxylic acid
- 292043-69-7
- 3,3-Dimethyl-5-oxocyclopent-1-ene-1-carboxylic acid
- DTXSID60665710
-
- Inchi： 1S/C8H10O3/c1-8(2)3-5(7(10)11)6(9)4-8/h3H,4H2,1-2H3,(H,10,11)
- InChI Key： DWSHJQQMPNDZGA-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)O)=CC(C)(C)C1
Computed Properties
- Exact Mass: 154.063
- Monoisotopic Mass: 154.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 248
- 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: 1.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1-Cyclopentene-1-carboxylicacid, 3,3-dimethyl-5-oxo- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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