Cas no 88107-40-8 (Acetic acid, cyano-, 2,2-dimethylpropyl ester)
88107-40-8 structure
Product Name:Acetic acid, cyano-, 2,2-dimethylpropyl ester
CAS No:88107-40-8
MF:C8H13NO2
MW:155.194322347641
CID:644798
PubChem ID:19389183
Update Time:2025-04-19
Acetic acid, cyano-, 2,2-dimethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, cyano-, 2,2-dimethylpropyl ester
- 2,2-dimethylpropyl 2-cyanoacetate
- neopentyl alpha-cyanoacetate
- SCHEMBL9239372
- MKXONZIDTWQRSO-UHFFFAOYSA-N
- 2,2-Dimethylpropyl cyanoacetate
- neopentyl cyanoacetate
- 88107-40-8
- DTXSID30598607
-
- Inchi： 1S/C8H13NO2/c1-8(2,3)6-11-7(10)4-5-9/h4,6H2,1-3H3
- InChI Key： MKXONZIDTWQRSO-UHFFFAOYSA-N
- SMILES： O(C(CC#N)=O)CC(C)(C)C
Computed Properties
- Exact Mass: 155.094628657g/mol
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 182
- 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: 1.7
- Topological Polar Surface Area: 50.1?2
Acetic acid, cyano-, 2,2-dimethylpropyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
88107-40-8 (Acetic acid, cyano-, 2,2-dimethylpropyl ester) Related Products
- 1572-99-2(Ethyl 2-cyanopropanoate)
- 13361-31-4(Isobutyl cyanoacetate)
- 1572-98-1(Ethyl 2,2-Dimethylcyanoacetate)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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