Cas no 155249-05-1 (Propaneperoxoic acid,methyl ester)
155249-05-1 structure
Product Name:Propaneperoxoic acid,methyl ester
CAS No:155249-05-1
MF:C4H8O3
MW:104.104521751404
CID:106917
PubChem ID:23287416
Update Time:2025-04-18
Propaneperoxoic acid,methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propaneperoxoic acid,methyl ester
- Propaneperoxoic acid, methyl ester
- SCHEMBL445066
- methoxy propionate
- 155249-05-1
- methyl propaneperoxoate
-
- Inchi: 1S/C4H8O3/c1-3-4(5)7-6-2/h3H2,1-2H3
- InChI Key: YWTJTYXQYJSKNB-UHFFFAOYSA-N
- SMILES: O(C(CC)=O)OC
Computed Properties
- Exact Mass: 104.04734
- Monoisotopic Mass: 104.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 60
- 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: 0.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Propaneperoxoic acid,methyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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