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288399-57-5 | 4H-1-Benzopyran-2-carboxylic acid, 6,8-dimethyl-4-oxo-
CAS No: 288399-57-5 Catalog No: AG002WQL MDL No:MFCD03424503
Product Description
Catalog Number:
AG002WQL
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 6,8-dimethyl-4-oxo-
CAS Number:
288399-57-5
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD03424503
IUPAC Name:
6,8-dimethyl-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C12H10O4/c1-6-3-7(2)11-8(4-6)9(13)5-10(16-11)12(14)15/h3-5H,1-2H3,(H,14,15)
InChI Key:
PQUJCDXKEIHDCF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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