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(4-Hydroxy-3-methylphenyl)boronic acid - 97%, high purity , CAS No.762263-66-1
Basic Description
Synonyms
4-HYDROXY-3-METHYLBENZENEBORONIC ACID | Boronic acid, (4-hydroxy-3-methylphenyl)- (9CI) | EN300-1228839 | (4-Hydroxy-3-methylphenyl)boronic acid | AMY29886 | SY104712 | FT-0686863 | GZHWHLOMMPXHPW-UHFFFAOYSA-N | AKOS016000231 | W17226 | 4-hydroxy-3-methyl
Specifications & Purity
≥97%
Storage Temp
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
Toluenes 1-hydroxy-2-unsubstituted benzenoids Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
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
(4-hydroxy-3-methylphenyl)boronic acid
INCHI
InChI=1S/C7H9BO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9-11H,1H3
InChIKey
GZHWHLOMMPXHPW-UHFFFAOYSA-N
Smiles
B(C1=CC(=C(C=C1)O)C)(O)O
Isomeric SMILES
B(C1=CC(=C(C=C1)O)C)(O)O
Molecular Weight
151.96
Reaxy-Rn
15648837
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15648837&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
151.960 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
152.064 Da
Monoisotopic Mass
152.064 Da
Topological Polar Surface Area
60.700 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
129.000
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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