Name: Name:ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,4-dioxobutanoate
Brand: Angene
SKU: AG01A5CD
Rating: 90 (10 reviews)

ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,4-dioxobutanoate

CAS No.:

62849-03-0

Catalog Number:

AG01A5CD

Molecular Formula:

C13H12O6

Molecular Weight:

264.2308

Catalog Number:

AG01A5CD

Chemical Name:

ethyl 4-(2H-1,3-benzodioxol-5-yl)-2,4-dioxobutanoate

CAS Number:

62849-03-0

Molecular Formula:

C13H12O6

Molecular Weight:

264.2308

MDL Number:

MFCD03411533

IUPAC Name:

ethyl 4-(1,3-benzodioxol-5-yl)-2,4-dioxobutanoate

InChI:

InChI=1S/C13H12O6/c1-2-17-13(16)10(15)6-9(14)8-3-4-11-12(5-8)19-7-18-11/h3-5H,2,6-7H2,1H3

InChI Key:

ZYJILSFACFQGEV-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=O)CC(=O)c1ccc2c(c1)OCO2

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.233g/mol

Monoisotopic Mass:

264.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7