Name: Name:3-[(pyridin-3-ylmethyl)carbamoyl]prop-2-enoic acid
Brand: Angene
SKU: AG01AAY5
Rating: 90 (10 reviews)

3-[(pyridin-3-ylmethyl)carbamoyl]prop-2-enoic acid

CAS No.:

307526-41-6

Catalog Number:

AG01AAY5

Molecular Formula:

C10H10N2O3

Molecular Weight:

206.1980

Catalog Number:

AG01AAY5

Chemical Name:

3-[(pyridin-3-ylmethyl)carbamoyl]prop-2-enoic acid

CAS Number:

307526-41-6

Molecular Formula:

C10H10N2O3

Molecular Weight:

206.1980

MDL Number:

MFCD00587931

IUPAC Name:

4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid

InChI:

InChI=1S/C10H10N2O3/c13-9(3-4-10(14)15)12-7-8-2-1-5-11-6-8/h1-6H,7H2,(H,12,13)(H,14,15)

InChI Key:

TXGCHSXRGITSHI-UHFFFAOYSA-N

SMILES:

O=C(NCc1cccnc1)C=CC(=O)O

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.201g/mol

Monoisotopic Mass:

206.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3