Name: Name:methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate
Brand: Angene
SKU: AG01A45W
Rating: 90 (10 reviews)

methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate

CAS No.:

153646-24-3

Catalog Number:

AG01A45W

Molecular Formula:

C12H9NO5

Molecular Weight:

247.2036

Catalog Number:

AG01A45W

Chemical Name:

methyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-oxopropanoate

CAS Number:

153646-24-3

Molecular Formula:

C12H9NO5

Molecular Weight:

247.2036

MDL Number:

MFCD23144250

IUPAC Name:

methyl 3-(1,3-dioxoisoindol-2-yl)-2-oxopropanoate

InChI:

InChI=1S/C12H9NO5/c1-18-12(17)9(14)6-13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5H,6H2,1H3

InChI Key:

CRFRUUGFDCLUOV-UHFFFAOYSA-N

SMILES:

COC(=O)C(=O)CN1C(=O)c2c(C1=O)cccc2

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.206g/mol

Monoisotopic Mass:

247.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7