Name: Name:5-ethyl-1-[4-(propan-2-yloxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AKNK
Rating: 90 (10 reviews)

5-ethyl-1-[4-(propan-2-yloxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1096911-94-2

Catalog Number:

AG01AKNK

Molecular Formula:

C14H17N3O3

Molecular Weight:

275.3031

Catalog Number:

AG01AKNK

Chemical Name:

5-ethyl-1-[4-(propan-2-yloxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1096911-94-2

Molecular Formula:

C14H17N3O3

Molecular Weight:

275.3031

MDL Number:

MFCD13654594

IUPAC Name:

5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C14H17N3O3/c1-4-12-13(14(18)19)15-16-17(12)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3,(H,18,19)

InChI Key:

FFOAAQAJVAKQIK-UHFFFAOYSA-N

SMILES:

CCc1c(nnn1c1ccc(cc1)OC(C)C)C(=O)O

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.308g/mol

Monoisotopic Mass:

275.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8