Cas no 33769-98-1 ( )
structure
Product Name:
CAS No:33769-98-1
MF:C8H12O4
MW:172.178483009338
CID:918361
PubChem ID:316892
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- NSC-245494
- 33769-98-1
- AKOS006282030
- SCHEMBL24318092
- DTXSID10955355
- 878-14-8
- DB-163422
- 2-(Methoxycarbonyl)cyclopropanecarboxylic acid ethyl ester
- NSC245494
- Ethyl methyl cyclopropane-1,2-dicarboxylate
-
-
- Inchi： 1S/C8H12O4/c1-3-12-8(10)6-4-5(6)7(9)11-2/h5-6H,3-4H2,1-2H3
- InChI Key： PSWYXXNEDUYTHS-UHFFFAOYSA-N
- SMILES： O(CC)C(C1CC1C(=O)OC)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.187g/cm3
- Boiling Point: 227.7oC at 760 mmHg
- Flash Point: 107.7oC
- Refractive Index: 1.468
- PSA: 52.6
- LogP: 0.35860
Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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