Cas no 7309-46-8 (Hexanoic acid, 2-cyano-, methyl ester)
7309-46-8 structure
Product Name:Hexanoic acid, 2-cyano-, methyl ester
CAS No:7309-46-8
MF:C8H13NO2
MW:155.194322347641
CID:543021
PubChem ID:549410
Update Time:2025-04-19
Hexanoic acid, 2-cyano-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-cyano-, methyl ester
- 2-Cyanohexanoic acid methyl ester
- methyl 2-cyanohexanoate
- Methyl-2-cyanohexanoate
- 2-cyano-hexanoic acid methyl ester
- HNIMUKWIOXPQIL-UHFFFAOYSA-N
- DTXSID80338499
- SCHEMBL8684831
- 7309-46-8
-
- Inchi： 1S/C8H13NO2/c1-3-4-5-7(6-9)8(10)11-2/h7H,3-5H2,1-2H3
- InChI Key： HNIMUKWIOXPQIL-UHFFFAOYSA-N
- SMILES： O(C)C(C(C#N)CCCC)=O
Computed Properties
- Exact Mass: 155.09469
- 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: 5
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
Hexanoic acid, 2-cyano-, methyl ester Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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- 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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- 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)
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