Home Carboxys 3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid

3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid

CAS No.:
890646-74-9
Catalog Number:
AG01BJ0R
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG01BJ0R
Chemical Name:
3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid
CAS Number:
890646-74-9
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD07802412
IUPAC Name:
3,7-dimethyl-1-oxo-4H-isochromene-3-carboxylic acid
InChI:
InChI=1S/C12H12O4/c1-7-3-4-8-6-12(2,11(14)15)16-10(13)9(8)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChI Key:
UMJVJYXBGIYAQJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)OC(C2)(C)C(=O)O
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties