Cas no 139963-69-2 (2-Butanone,4-(1-hydroxycyclopropyl)-)
139963-69-2 structure
Product Name:2-Butanone,4-(1-hydroxycyclopropyl)-
CAS No:139963-69-2
MF:C7H12O2
MW:128.168982505798
CID:102102
PubChem ID:15721258
Update Time:2025-04-18
2-Butanone,4-(1-hydroxycyclopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,4-(1-hydroxycyclopropyl)-
- 2-Butanone, 4-(1-hydroxycyclopropyl)- (9CI)
- 139963-69-2
- 4-(1-hydroxycyclopropyl)butan-2-one
- AT24658
-
- Inchi： 1S/C7H12O2/c1-6(8)2-3-7(9)4-5-7/h9H,2-5H2,1H3
- InChI Key： LOPFTQZDHHEGJW-UHFFFAOYSA-N
- SMILES： OC1(CCC(C)=O)CC1
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 125
- 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: -0.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Butanone,4-(1-hydroxycyclopropyl)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
139963-69-2 (2-Butanone,4-(1-hydroxycyclopropyl)-) Related Products
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