Cas no 113701-99-8 (Oxiraneundecanoic acid,k-hydroxy-3-isocyano-3-methyl-, (kR,2R,3R)-rel-(-)- (9CI))
113701-99-8 structure
Product Name:Oxiraneundecanoic acid,k-hydroxy-3-isocyano-3-methyl-, (kR,2R,3R)-rel-(-)- (9CI)
CAS No:113701-99-8
MF:C15H25NO4
MW:283.363304853439
CID:148746
PubChem ID:197242
Update Time:2025-04-19
Oxiraneundecanoic acid,k-hydroxy-3-isocyano-3-methyl-, (kR,2R,3R)-rel-(-)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Oxiraneundecanoic acid,k-hydroxy-3-isocyano-3-methyl-, (kR,2R,3R)-rel-(-)- (9CI)
- 11-(3-isocyano-3-methyloxiran-2-yl)undecaneperoxoic acid
- aerocyanidin
- kappa-Hydroxy-3-isocyano-3-methyloxiraneundecanoic acid (2-alpha(R*),3-alpha)-(-)-
- Oxiraneundecanoic acid, kappa-hydroxy-3-isocyano-3-methyl-, (2alpha(R*),3alpha)-(-)-
- Oxiraneundecanoic acid, kappa-hydroxy-3-isocyano-3-methyl-, (2-alpha(R*),3-alpha)-(-)-
- 113701-99-8
- DTXSID20921167
-
- Inchi： 1S/C15H25NO4/c1-15(16-2)13(19-15)11-9-7-5-3-4-6-8-10-12-14(17)20-18/h13,18H,3-12H2,1H3
- InChI Key： NYURBVOZXRWAPK-UHFFFAOYSA-N
- SMILES： O1C(C)(C1CCCCCCCCCCC(=O)OO)[N+]#[C-]
Computed Properties
- Exact Mass: 283.17845
- Monoisotopic Mass: 283.17835828g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 349
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- PSA: 63.42
Oxiraneundecanoic acid,k-hydroxy-3-isocyano-3-methyl-, (kR,2R,3R)-rel-(-)- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids and derivatives Peroxycarboxylic acids
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