Name: Name:3,3-diethyl 4-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3,3-dicarboxylate
Brand: Angene
SKU: AG01BGRX
Rating: 90 (10 reviews)

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

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

Complexity:

441

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.286g/mol

Monoisotopic Mass:

308.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8