Cas no 40074-59-7 (2-Propenoic acid, 2-methyl-, 4-(phosphonooxy)butyl ester)
40074-59-7 structure
Product Name:2-Propenoic acid, 2-methyl-, 4-(phosphonooxy)butyl ester
CAS No:40074-59-7
MF:C8H15O6P
MW:238.174864053726
CID:324475
PubChem ID:21908457
Update Time:2025-04-19
2-Propenoic acid, 2-methyl-, 4-(phosphonooxy)butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methyl-, 4-(phosphonooxy)butyl ester
- 4-phosphonooxybutyl 2-methylprop-2-enoate
- GMCNAQYARMUGJX-UHFFFAOYSA-N
- 4-methacryloyloxybutyl dihydrogenphosphate
- SCHEMBL40720
- DTXSID80619896
- 4-(Phosphonooxy)butyl 2-methylprop-2-enoate
- 40074-59-7
-
- Inchi： 1S/C8H15O6P/c1-7(2)8(9)13-5-3-4-6-14-15(10,11)12/h1,3-6H2,2H3,(H2,10,11,12)
- InChI Key： GMCNAQYARMUGJX-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OCCCCOC(C(=C)C)=O
Computed Properties
- Exact Mass: 238.06062519g/mol
- Monoisotopic Mass: 238.06062519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 268
- 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: 0.6
- Topological Polar Surface Area: 93.1?2
2-Propenoic acid, 2-methyl-, 4-(phosphonooxy)butyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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