Cas no 61737-77-7 (Propanal, 3-chloro-2-methyl-)
Propanal, 3-chloro-2-methyl- structure
Product Name:Propanal, 3-chloro-2-methyl-
CAS No:61737-77-7
MF:C4H7ClO
MW:106.550780534744
CID:1629029
Update Time:2024-09-12
Propanal, 3-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanal, 3-chloro-2-methyl-
- 3-chloro-2-methyl-propionaldehyde
-
- Inchi： 1S/C4H7ClO/c1-4(2-5)3-6/h3-4H,2H2,1H3
- InChI Key： MIGQGYPWOONPRH-UHFFFAOYSA-N
- SMILES： C(=O)C(C)CCl
Computed Properties
- Exact Mass: 106.01861
- Monoisotopic Mass: 106.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 44.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- PSA: 17.07
Propanal, 3-chloro-2-methyl- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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