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methyl 4-methyl-2-oxo-2H-chromen-7-ylcarbamate - >98%(HPLC), high purity
Discover methyl 4-methyl-2-oxo-2H-chromen-7-ylcarbamate by Aladdin Scientific in >98%(HPLC) for only $2,909.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
114415-25-7 | Methyl 4-methyl-2-oxo-2H-chromen-7-ylcarbamate | Methyl (4-methyl-2-oxo-2H-chromen-7-yl)carbamate | methyl N-(4-methyl-2-oxochromen-7-yl)carbamate | Carbamic acid, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, methyl ester | Methyl(4-methyl-2-oxo-2H-chrom
Specifications & Purity
≥98%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Lactones Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Lactone - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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
methyl N-(4-methyl-2-oxochromen-7-yl)carbamate
INCHI
InChI=1S/C12H11NO4/c1-7-5-11(14)17-10-6-8(3-4-9(7)10)13-12(15)16-2/h3-6H,1-2H3,(H,13,15)
InChIKey
JIOMFGXJXANDTA-UHFFFAOYSA-N
Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)OC
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
233.220 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
233.069 Da
Monoisotopic Mass
233.069 Da
Topological Polar Surface Area
64.599 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
364.000
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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