Name: Name:ethyl 5-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-3-carboxylate
Brand: Angene
SKU: AG01A34D
Rating: 90 (10 reviews)

ethyl 5-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-3-carboxylate

CAS No.:

1275345-54-4

Catalog Number:

AG01A34D

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

Catalog Number:

AG01A34D

Chemical Name:

ethyl 5-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-3-carboxylate

CAS Number:

1275345-54-4

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

MDL Number:

MFCD19141573

IUPAC Name:

ethyl 5-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C12H13N3O3/c1-2-18-12(17)11-13-10(14-15-11)9(16)8-6-4-3-5-7-8/h3-7,9,16H,2H2,1H3,(H,13,14,15)

InChI Key:

VNEPAABHYGJRHF-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nc([nH]n1)C(c1ccccc1)O

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.254g/mol

Monoisotopic Mass:

247.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4