Name: Name:3-[(1H-indazol-5-yl)carbamoyl]prop-2-enoic acid
Brand: Angene
SKU: AG01A1XF
Rating: 90 (10 reviews)

3-[(1H-indazol-5-yl)carbamoyl]prop-2-enoic acid

CAS No.:

332033-19-9

Catalog Number:

AG01A1XF

Molecular Formula:

C11H9N3O3

Molecular Weight:

231.2075

Catalog Number:

AG01A1XF

Chemical Name:

3-[(1H-indazol-5-yl)carbamoyl]prop-2-enoic acid

CAS Number:

332033-19-9

Molecular Formula:

C11H9N3O3

Molecular Weight:

231.2075

MDL Number:

MFCD02656565

IUPAC Name:

4-(1H-indazol-5-ylamino)-4-oxobut-2-enoic acid

InChI:

InChI=1S/C11H9N3O3/c15-10(3-4-11(16)17)13-8-1-2-9-7(5-8)6-12-14-9/h1-6H,(H,12,14)(H,13,15)(H,16,17)

InChI Key:

KJYKRLGZRDUUHW-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccc2c(c1)cn[nH]2)C=CC(=O)O

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.211g/mol

Monoisotopic Mass:

231.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1