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Polypropylene - melt index 35g/10min, high purity , CAS No.9003-07-0
Basic Description
Synonyms
12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid | 12-(3-Octyl-2-oxiranyl)dodecanoic acid # | 2-Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel- | N-Fmoc-5-aminolevulinicacid | cis-13,14-Epoxydocosanoic acid | NSYDMBURIUSUDH-RTWAWAEBSA-N | Oxiranedodecanoic a
Specifications & Purity
melt index 35g/10min
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Long-chain fatty acids
Alternative Parents
Epoxy fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Long-chain fatty acid - Epoxy fatty acid - Heterocyclic fatty acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid
INCHI
InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/t20-,21+/m1/s1
InChIKey
NSYDMBURIUSUDH-RTWAWAEBSA-N
Smiles
CCCCCCCCC1C(O1)CCCCCCCCCCCC(=O)O
Isomeric SMILES
CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCCCCC(=O)O
Reaxy-Rn
87459
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=87459&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
354.600 g/mol
XLogP3
8.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
19
Exact Mass
354.313 Da
Monoisotopic Mass
354.313 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
316.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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58 Citations
F2509103