Cas no 76617-78-2 (Pentanoic acid, 2-(hydroxyimino)-4-methyl-)
76617-78-2 structure
Product Name:Pentanoic acid, 2-(hydroxyimino)-4-methyl-
CAS No:76617-78-2
MF:C6H11NO3
MW:145.156441926956
CID:537481
PubChem ID:57358680
Update Time:2025-04-19
Pentanoic acid, 2-(hydroxyimino)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-(hydroxyimino)-4-methyl-
- 2-hydroxyimino-4-methylpentanoic acid
- alpha-hydroxyiminoisocaproic acid
- BXFMNNVJFIGVDJ-UHFFFAOYSA-N
- alpha-hydroxyimino-isocaproic acid
- 76617-78-2
- 2-(hydroxyimino)-4-methylpentanoic acid
- DTXSID20724195
-
- Inchi： 1S/C6H11NO3/c1-4(2)3-5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9)
- InChI Key： BXFMNNVJFIGVDJ-UHFFFAOYSA-N
- SMILES： OC(C(CC(C)C)=NO)=O
Computed Properties
- Exact Mass: 145.07393
- Monoisotopic Mass: 145.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 151
- 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: 1.7
- Topological Polar Surface Area: 69.9?2
Experimental Properties
- PSA: 69.89
Pentanoic acid, 2-(hydroxyimino)-4-methyl- Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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