Home Carboxys 4-methyl-1-oxo-1H-isochromene-3-carboxylic acid

4-methyl-1-oxo-1H-isochromene-3-carboxylic acid

CAS No.:
56661-74-6
Catalog Number:
AG01B2FY
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
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Product Description
Catalog Number:
AG01B2FY
Chemical Name:
4-methyl-1-oxo-1H-isochromene-3-carboxylic acid
CAS Number:
56661-74-6
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
MDL Number:
MFCD18432365
IUPAC Name:
4-methyl-1-oxoisochromene-3-carboxylic acid
InChI:
InChI=1S/C11H8O4/c1-6-7-4-2-3-5-8(7)11(14)15-9(6)10(12)13/h2-5H,1H3,(H,12,13)
InChI Key:
PDPBEHRWSYREIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc(=O)c2c(c1C)cccc2
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties