Home Other Building Blocks 5-METHOXYCOUMARIN

5-METHOXYCOUMARIN

CAS No.:
51559-36-5
Catalog Number:
AG00DBW7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DBW7
Chemical Name:
5-METHOXYCOUMARIN
CAS Number:
51559-36-5
MDL Number:
MFCD06797684
IUPAC Name:
5-methoxychromen-2-one
InChI:
InChI=1S/C10H8O3/c1-12-8-3-2-4-9-7(8)5-6-10(11)13-9/h2-6H,1H3
InChI Key:
XYFXTIBDEAZMAH-UHFFFAOYSA-N
UNII:
YUV63OTC0P
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and biological evaluation of alkoxycoumarins as novel nematicidal constituents. Bioorganic & medicinal chemistry letters 20081015
Properties