Name: Name:3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1H-pyrazole-4-carbaldehyde
Brand: Angene
SKU: AG01B6PO
Rating: 90 (10 reviews)

3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1H-pyrazole-4-carbaldehyde

CAS No.:

2044773-94-4

Catalog Number:

AG01B6PO

Molecular Formula:

C13H9N3O3

Molecular Weight:

255.2289

Catalog Number:

AG01B6PO

Chemical Name:

3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1H-pyrazole-4-carbaldehyde

CAS Number:

2044773-94-4

Molecular Formula:

C13H9N3O3

Molecular Weight:

255.2289

MDL Number:

MFCD21602682

IUPAC Name:

5-[(1,3-dioxoisoindol-2-yl)methyl]-1H-pyrazole-4-carbaldehyde

InChI:

InChI=1S/C13H9N3O3/c17-7-8-5-14-15-11(8)6-16-12(18)9-3-1-2-4-10(9)13(16)19/h1-5,7H,6H2,(H,14,15)

InChI Key:

NXEFSPKGGSDDMN-UHFFFAOYSA-N

SMILES:

O=Cc1c[nH]nc1CN1C(=O)c2c(C1=O)cccc2

Complexity:

388

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.233g/mol

Monoisotopic Mass:

255.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2