Name: Name:3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-
Brand: Angene
SKU: AG0010ZA
Rating: 90 (10 reviews)

3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-

CAS No.:

1326814-81-6

Catalog Number:

AG0010ZA

Molecular Formula:

C9H8N2O3

Molecular Weight:

192.1714

Catalog Number:

AG0010ZA

Chemical Name:

3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-

CAS Number:

1326814-81-6

Molecular Formula:

C9H8N2O3

Molecular Weight:

192.1714

MDL Number:

MFCD19706940

IUPAC Name:

5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylic acid

InChI:

InChI=1S/C9H8N2O3/c1-11-4-2-3-7(11)8-5-6(9(12)13)10-14-8/h2-5H,1H3,(H,12,13)

InChI Key:

BRRLYKWPVBTLOR-UHFFFAOYSA-N

SMILES:

OC(=O)c1noc(c1)c1cccn1C

Complexity:

234

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:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7