Cas no 51552-26-2 (2-Butenoic acid, 3-methyl-, 2-propenyl ester)
51552-26-2 structure
Product Name:2-Butenoic acid, 3-methyl-, 2-propenyl ester
CAS No:51552-26-2
MF:C8H12O2
MW:140.179682731628
CID:362019
PubChem ID:557738
Update Time:2025-04-19
2-Butenoic acid, 3-methyl-, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-methyl-, 2-propenyl ester
- prop-2-enyl 3-methylbut-2-enoate
- Allyl 3-methyl-2-butenoate #
- SCHEMBL6050174
- 51552-26-2
- 3-Methyl-2-butenoic acid, allyl ester
- DTXSID10339671
- GVTWTJSNCVPLSZ-UHFFFAOYSA-N
-
- Inchi： 1S/C8H12O2/c1-4-5-10-8(9)6-7(2)3/h4,6H,1,5H2,2-3H3
- InChI Key： GVTWTJSNCVPLSZ-UHFFFAOYSA-N
- SMILES： O(CC=C)C(/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 153
- 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: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Butenoic acid, 3-methyl-, 2-propenyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
51552-26-2 (2-Butenoic acid, 3-methyl-, 2-propenyl ester) Related Products
- 924-50-5(Methyl 3-methyl-2-butenoate)
- 34876-10-3(2-Butenoic acid,3-methyl-, 1,1'-anhydride)
- 6124-79-4(4-Methyl-2(5H)-furanone)
- 638-10-8(ethyl 3-methylbut-2-enoate)
- 74592-36-2(Ethyl 2-cyclopropylideneacetate)
- 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)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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