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206354-66-7 | 2H-1-Benzopyran-4-carboxylic acid, 6-methyl-2-oxo-, methyl ester
CAS No: 206354-66-7 Catalog No: AG002IFW MDL No:
Product Description
Catalog Number:
AG002IFW
Chemical Name:
2H-1-Benzopyran-4-carboxylic acid, 6-methyl-2-oxo-, methyl ester
CAS Number:
206354-66-7
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
methyl 6-methyl-2-oxochromene-4-carboxylate
InChI:
InChI=1S/C12H10O4/c1-7-3-4-10-8(5-7)9(12(14)15-2)6-11(13)16-10/h3-6H,1-2H3
InChI Key:
XWPBJAICNVHWQJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)oc2c1cc(C)cc2
Properties
Complexity:
345
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:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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