Cas no 74502-13-9 (2-Propenoic acid, 2-(acetyloxy)-)
74502-13-9 structure
Product Name:2-Propenoic acid, 2-(acetyloxy)-
CAS No:74502-13-9
MF:C5H6O4
MW:130.098742008209
CID:540916
PubChem ID:22259828
Update Time:2025-04-19
2-Propenoic acid, 2-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-(acetyloxy)-
- 2-acetyloxyprop-2-enoic acid
- alpha-acetoxy propenoic acid
- DTXSID00624003
- 74502-13-9
- 2-(Acetyloxy)prop-2-enoic acid
- AKOS006379033
- SCHEMBL1250897
-
- Inchi： 1S/C5H6O4/c1-3(5(7)8)9-4(2)6/h1H2,2H3,(H,7,8)
- InChI Key： CFVZILWIXKITDD-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(=C)C(=O)O
Computed Properties
- Exact Mass: 130.02658
- Monoisotopic Mass: 130.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 158
- 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: 0.3
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
2-Propenoic acid, 2-(acetyloxy)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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