Name: Name:2-methyl-2-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]propanoic acid
Brand: Angene
SKU: AG01EKW1
Rating: 90 (10 reviews)

2-methyl-2-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]propanoic acid

CAS No.:

2138068-95-6

Catalog Number:

AG01EKW1

Molecular Formula:

C11H12N4O2

Molecular Weight:

232.2386

Catalog Number:

AG01EKW1

Chemical Name:

2-methyl-2-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]propanoic acid

CAS Number:

2138068-95-6

Molecular Formula:

C11H12N4O2

Molecular Weight:

232.2386

IUPAC Name:

2-methyl-2-(4-pyridin-3-yltriazol-1-yl)propanoic acid

InChI:

InChI=1S/C11H12N4O2/c1-11(2,10(16)17)15-7-9(13-14-15)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,16,17)

InChI Key:

RXENIXYMUVTAOJ-UHFFFAOYSA-N

SMILES:

OC(=O)C(n1nnc(c1)c1cccnc1)(C)C

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.243g/mol

Monoisotopic Mass:

232.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6