Cas no 823192-45-6 (2-Butenoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (2E)-)
823192-45-6 structure
Product Name:2-Butenoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (2E)-
CAS No:823192-45-6
MF:C10H16O4
MW:200.231643676758
CID:695034
PubChem ID:71419463
Update Time:2025-04-19
2-Butenoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (2E)-
- (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-2-enoate
- INDEX NAME NOT YET ASSIGNED
- DTXSID20838706
- 63303-79-7
- 823192-45-6
- (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2-butenoate
- DTXSID101228666
-
- Inchi： 1S/C10H16O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h4-5,8H,6-7H2,1-3H3
- InChI Key： ZQDDIEDWSUCUBP-UHFFFAOYSA-N
- SMILES： O1C(COC(C=CC)=O)COC1(C)C
Computed Properties
- Exact Mass: 200.10485899g/mol
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.2
- Topological Polar Surface Area: 44.8?2
2-Butenoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (2E)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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