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6-Methoxy-2-benzoxazolinone - 10mM in DMSO, high purity , CAS No.532-91-2
Basic Description
Synonyms
Coixol | 532-91-2 | 6-Methoxy-2-benzoxazolinone | 6-METHOXYBENZO[D]OXAZOL-2(3H)-ONE | MBOA | 6-Methoxybenzoxazolinone | 6-MBOA | 6-methoxy-3H-1,3-benzoxazol-2-one | 2(3H)-Benzoxazolone, 6-methoxy- | 2-BENZOXAZOLINONE, 6-METHOXY- | 6-Methoxy-2(3H)-benzoxazolone | 6-Methoxy-1,3-
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
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
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Benzoxazolones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolones
Alternative Parents
Anisoles Alkyl aryl ethers Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazolone - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-methoxy-3H-1,3-benzoxazol-2-one
INCHI
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKey
MKMCJLMBVKHUMS-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=C1)NC(=O)O2
Isomeric SMILES
COC1=CC2=C(C=C1)NC(=O)O2
WGK Germany
3
Molecular Weight
165.15
Reaxy-Rn
141041
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141041&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
151-156°C
Molecular Weight
165.150 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
165.043 Da
Monoisotopic Mass
165.043 Da
Topological Polar Surface Area
47.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
195.000
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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