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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Hydroxy-5-methoxybenzonitrile - ≥97% , CAS No.39900-63-5
Synonyms
AKOS006343716 | Benzonitrile, 2-hydroxy-5-methoxy- | CL8170 | 2-hydroxy-5-methoxybenzonitrile | 2-Hydroxy-5-methoxy-benzonitrile | SY075471 | AS-45995 | MB02405 | 2-cyano-4-methoxyphenol | AMY16420 | SCHEMBL1119284 | FT-0688366 | EN300-1615134 | ZFKRGDMEH
Storage
Room temperature,Desiccated
Specifications Synonyms
AKOS006343716 | Benzonitrile, 2-hydroxy-5-methoxy- | CL8170 | 2-hydroxy-5-methoxybenzonitrile | 2-Hydroxy-5-methoxy-benzonitrile | SY075471 | AS-45995 | MB02405 | 2-cyano-4-methoxyphenol | AMY16420 | SCHEMBL1119284 | FT-0688366 | EN300-1615134 | ZFKRGDMEH
Specifications & Purity
≥97%
Storage
Room temperature,Desiccated
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764669
Canonical Smiles
COC1=CC(=C(C=C1)O)C#N
IUPAC Name
2-hydroxy-5-methoxybenzonitrile
InChIKey
ZFKRGDMEHBTPFN-UHFFFAOYSA-N
INCHI
1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
Isomeric SMILES
COC1=CC(=C(C=C1)O)C#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089481&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Phenols Subclass Methoxyphenols Intermediate Tree Nodes Not available Direct Parent Methoxyphenols Alternative Parents 4-alkoxyphenols Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Nitriles Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Methoxyphenol - 4-alkoxyphenol - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 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.
3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 149.150 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 149.048 Da Monoisotopic Mass 149.048 Da Topological Polar Surface Area 53.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 172.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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
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