Name: Name:3-(4-phenyl-4H-1,2,4-triazol-3-yl)propanoic acid
Brand: Angene
SKU: AG019SDU
Rating: 90 (10 reviews)

3-(4-phenyl-4H-1,2,4-triazol-3-yl)propanoic acid

CAS No.:

1249518-17-9

Catalog Number:

AG019SDU

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG019SDU

Chemical Name:

3-(4-phenyl-4H-1,2,4-triazol-3-yl)propanoic acid

CAS Number:

1249518-17-9

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD16852467

IUPAC Name:

3-(4-phenyl-1,2,4-triazol-3-yl)propanoic acid

InChI:

InChI=1S/C11H11N3O2/c15-11(16)7-6-10-13-12-8-14(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)

InChI Key:

CPWNJIVOJXZWKU-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1nncn1c1ccccc1

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.228g/mol

Monoisotopic Mass:

217.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9