Home Carboxys 6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid

6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid

CAS No.:
435297-35-1
Catalog Number:
AG01A0BN
Molecular Formula:
C11H8O5
Molecular Weight:
220.1782
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Product Description
Catalog Number:
AG01A0BN
Chemical Name:
6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid
CAS Number:
435297-35-1
Molecular Formula:
C11H8O5
Molecular Weight:
220.1782
MDL Number:
MFCD09258886
IUPAC Name:
6-hydroxy-4-methyl-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C11H8O5/c1-5-7-4-6(12)2-3-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
NAKYXMFBKWCPCQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(C)c(c(=O)o2)C(=O)O
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.18g/mol
Monoisotopic Mass:
220.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties