Cas no 918156-05-5 (2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)-)
![2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)- structure](https://ossimg.kuujia.com/scimg/918500/918156-05-5x500.png)
918156-05-5 structure
Product Name:2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)-
CAS No:918156-05-5
MF:C8H12O4
MW:172.178483009338
CID:778999
PubChem ID:71427710
Update Time:2025-04-19
2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)-
- methyl 2-(acetyloxymethyl)but-2-enoate
- Methyl 2-[(acetyloxy)methyl]but-2-enoate
- 918156-05-5
- DTXSID20846447
-
- Inchi： 1S/C8H12O4/c1-4-7(8(10)11-3)5-12-6(2)9/h4H,5H2,1-3H3
- InChI Key： RJBMWLBQNSGSLQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC(C(=O)OC)=CC
Computed Properties
- Exact Mass: 172.07355886g/mol
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 0.6
- Topological Polar Surface Area: 52.6?2
2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
918156-05-5 (2-Butenoic acid, 2-[(acetyloxy)methyl]-, methyl ester, (2E)-) Related Products
- 14316-68-8(2-Butenoic acid,2-methyl-, 1,1'-anhydride, (2E,2'E)-)
- 5837-78-5(Ethyl tiglate)
- 1462-12-0(1,3-diethyl 2-ethylidenepropanedioate)
- 17041-60-0(Dimethyl ethylidenemalonate)
- 6802-75-1(Diethyl isopropylidenemalonate)
- 61692-83-9(Propyl tiglate)
- 22035-53-6(Dimethyl isopropylidenemalonate)
- 6174-95-4(tetraethyl ethylenetetracarboxylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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