Cas no 52737-31-2 (3-Cyclopentene-1-acetic acid, 3,4-dimethyl- (9CI))
52737-31-2 structure
Product Name:3-Cyclopentene-1-acetic acid, 3,4-dimethyl- (9CI)
CAS No:52737-31-2
MF:C9H14O2
MW:154.206263065338
CID:937375
PubChem ID:45116559
Update Time:2025-04-19
3-Cyclopentene-1-acetic acid, 3,4-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclopentene-1-acetic acid, 3,4-dimethyl- (9CI)
- DB-282987
- 3-CYCLOPENTENE-1-ACETIC ACID, 3,4-DIMETHYL-
- 52737-31-2
-
- Inchi： 1S/C9H14O2/c1-6-3-8(4-7(6)2)5-9(10)11/h8H,3-5H2,1-2H3,(H,10,11)
- InChI Key： PHXKNOVLICXJQA-UHFFFAOYSA-N
- SMILES： OC(CC1CC(C)=C(C)C1)=O
Computed Properties
- Exact Mass: 154.099379685g/mol
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 190
- 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
- Topological Polar Surface Area: 37.3?2
3-Cyclopentene-1-acetic acid, 3,4-dimethyl- (9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
52737-31-2 (3-Cyclopentene-1-acetic acid, 3,4-dimethyl- (9CI)) Related Products
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