Name: Name:3-(pyridin-2-yl)-4,5-dihydroisoxazole-5-carboxylic acid
Brand: Angene
SKU: AG01BIPM
Rating: 90 (10 reviews)

3-(pyridin-2-yl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:

396726-64-0

Catalog Number:

AG01BIPM

Molecular Formula:

C9H8N2O3

Molecular Weight:

192.1714

Catalog Number:

AG01BIPM

Chemical Name:

3-(pyridin-2-yl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS Number:

396726-64-0

Molecular Formula:

C9H8N2O3

Molecular Weight:

192.1714

MDL Number:

MFCD00853389

IUPAC Name:

3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

InChI:

InChI=1S/C9H8N2O3/c12-9(13)8-5-7(11-14-8)6-3-1-2-4-10-6/h1-4,8H,5H2,(H,12,13)

InChI Key:

RKEQTVJMWSCNBP-UHFFFAOYSA-N

SMILES:

OC(=O)C1ON=C(C1)c1ccccn1

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.174g/mol

Monoisotopic Mass:

192.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7