Cas no 99181-91-6 (2-Butenoic acid, 2-acetyl-3-ethoxy-, ethyl ester)
99181-91-6 structure
Product Name:2-Butenoic acid, 2-acetyl-3-ethoxy-, ethyl ester
CAS No:99181-91-6
MF:C10H16O4
MW:200.231643676758
CID:750334
PubChem ID:231474
Update Time:2025-04-19
2-Butenoic acid, 2-acetyl-3-ethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-acetyl-3-ethoxy-, ethyl ester
- ethyl 2-acetyl-3-ethoxybut-2-enoate
- 2-Acetyl-3-aethoxy-crotonsaeure-aethylester
- ethyl 2-acetyl-3-ethoxy-2-butenoate
- ethyl-2-(1-ethoxyethylidene)-acetoacetate
- DTXSID20282740
- 99181-91-6
- HRRZQHSALUPAON-UHFFFAOYSA-N
-
- Inchi： 1S/C10H16O4/c1-5-13-8(4)9(7(3)11)10(12)14-6-2/h5-6H2,1-4H3
- InChI Key： HRRZQHSALUPAON-UHFFFAOYSA-N
- SMILES： O(CC)C(C)=C(C(=O)OCC)C(C)=O
Computed Properties
- Exact Mass: 200.10500
- Monoisotopic Mass: 200.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 1.44900
2-Butenoic acid, 2-acetyl-3-ethoxy-, ethyl ester Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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