Name: Name:1,3(2H,4H)-Isoquinolinedione,4-(ethoxymethylene)-
Brand: Angene
SKU: AG007SCH
Rating: 90 (10 reviews)

1,3(2H,4H)-Isoquinolinedione,4-(ethoxymethylene)-

CAS No.:

18630-93-8

Catalog Number:

AG007SCH

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

Catalog Number:

AG007SCH

Chemical Name:

1,3(2H,4H)-Isoquinolinedione,4-(ethoxymethylene)-

CAS Number:

18630-93-8

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

MDL Number:

MFCD08271808

IUPAC Name:

4-(ethoxymethylidene)isoquinoline-1,3-dione

InChI:

InChI=1S/C12H11NO3/c1-2-16-7-10-8-5-3-4-6-9(8)11(14)13-12(10)15/h3-7H,2H2,1H3,(H,13,14,15)

InChI Key:

UPFHOYKZRKIAIQ-UHFFFAOYSA-N

SMILES:

CCO/C=C/1\C(=O)NC(=O)c2c1cccc2

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.224g/mol

Monoisotopic Mass:

217.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3