Cas no 57272-07-8 (Carbonic acid, mono(2-methylpropyl) ester)
57272-07-8 structure
Product Name:Carbonic acid, mono(2-methylpropyl) ester
CAS No:57272-07-8
MF:C5H9O3
MW:117.123162031174
CID:345899
PubChem ID:22140862
Update Time:2025-04-19
Carbonic acid, mono(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, mono(2-methylpropyl) ester
- 2-methylpropyl carbonate
- QRAFJHXNLQTXQW-UHFFFAOYSA-M
- 57272-07-8
- DTXSID30622835
-
- Inchi： 1S/C5H10O3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1
- InChI Key： QRAFJHXNLQTXQW-UHFFFAOYSA-M
- SMILES： O(C(=O)[O-])CC(C)C
Computed Properties
- Exact Mass: 117.05517
- Monoisotopic Mass: 117.055169145g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 72.2
- 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: 2.5
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.36
Carbonic acid, mono(2-methylpropyl) ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
57272-07-8 (Carbonic acid, mono(2-methylpropyl) ester) Related Products
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