Cas no 88382-52-9 (Propanedioic acid, methylene-, monobutyl ester)
88382-52-9 structure
Product Name:Propanedioic acid, methylene-, monobutyl ester
CAS No:88382-52-9
MF:C8H11O4
MW:171.170542955399
CID:634598
PubChem ID:18618551
Update Time:2025-04-19
Propanedioic acid, methylene-, monobutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, methylene-, monobutyl ester
- 2-butoxycarbonylprop-2-enoate
- 88382-52-9
- 2-(BUTOXYCARBONYL)PROP-2-ENOATE
- DTXSID50595178
-
- Inchi： 1S/C8H12O4/c1-3-4-5-12-8(11)6(2)7(9)10/h2-5H2,1H3,(H,9,10)/p-1
- InChI Key： HJIGCDGIVYPLOK-UHFFFAOYSA-M
- SMILES： O(C(C(=C)C(=O)[O-])=O)CCCC
Computed Properties
- Exact Mass: 171.06573383g/mol
- Monoisotopic Mass: 171.06573383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 190
- 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: 2.9
- Topological Polar Surface Area: 66.4?2
Propanedioic acid, methylene-, monobutyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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