Cas no 55378-41-1 (1-(Hydroxymethyl)propylacetate)
55378-41-1 structure
Product Name:1-(Hydroxymethyl)propylacetate
CAS No:55378-41-1
MF:C6H12O3
MW:132.157682418823
CID:352058
Update Time:2023-08-03
1-(Hydroxymethyl)propylacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Butanediol, 2-acetate
- 2-Acetoxy-1-butanol
- 1-hydroxy-2-acetoxybutane
- 1-(Hydroxymethyl)propylacetate
- CEAFMKFVSIOXOA-UHFFFAOYSA-N
-
- Inchi： 1S/C6H12O3/c1-3-6(4-7)9-5(2)8/h6-7H,3-4H2,1-2H3
- InChI Key： CEAFMKFVSIOXOA-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(CO)CC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 90.3
- XLogP3: 0.4
- Topological Polar Surface Area: 46.5
1-(Hydroxymethyl)propylacetate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
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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