Home Carboxys 3,3-diethyl 4-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3,3-dicarboxylate

3,3-diethyl 4-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3,3-dicarboxylate

CAS No.:
95168-26-6
Catalog Number:
AG01BGRX
Molecular Formula:
C15H16O7
Molecular Weight:
308.2833
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Product Description
Catalog Number:
AG01BGRX
Chemical Name:
3,3-diethyl 4-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3,3-dicarboxylate
CAS Number:
95168-26-6
Molecular Formula:
C15H16O7
Molecular Weight:
308.2833
MDL Number:
MFCD28125235
IUPAC Name:
diethyl 4-hydroxy-1-oxo-4H-isochromene-3,3-dicarboxylate
InChI:
InChI=1S/C15H16O7/c1-3-20-13(18)15(14(19)21-4-2)11(16)9-7-5-6-8-10(9)12(17)22-15/h5-8,11,16H,3-4H2,1-2H3
InChI Key:
HYXIBZHGLFRNIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(OC(=O)c2c(C1O)cccc2)C(=O)OCC
Properties
Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.09g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.286g/mol
Monoisotopic Mass:
308.09g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties