Cas no 54700-03-7 (Propanoic acid, 2,2-dimethyl-, hydroxymethyl ester)
54700-03-7 structure
Product Name:Propanoic acid, 2,2-dimethyl-, hydroxymethyl ester
CAS No:54700-03-7
MF:C6H12O3
MW:132.157682418823
CID:353901
PubChem ID:21983494
Update Time:2025-04-19
Propanoic acid, 2,2-dimethyl-, hydroxymethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,2-dimethyl-, hydroxymethyl ester
- hydroxymethyl 2,2-dimethylpropanoate
- pom-water
- DTXSID60621159
- 54700-03-7
- SCHEMBL63687
-
- Inchi： 1S/C6H12O3/c1-6(2,3)5(8)9-4-7/h7H,4H2,1-3H3
- InChI Key： OLKGTKIYKWXMOZ-UHFFFAOYSA-N
- SMILES： O(CO)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 132.07866
- Monoisotopic Mass: 132.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 101
- 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: 0.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Propanoic acid, 2,2-dimethyl-, hydroxymethyl ester Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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