Name: Name:1-[(3-ethyloxetan-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01C2N1
Rating: 90 (10 reviews)

1-[(3-ethyloxetan-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1909337-75-2

Catalog Number:

AG01C2N1

Molecular Formula:

C9H13N3O3

Molecular Weight:

211.2178

Catalog Number:

AG01C2N1

Chemical Name:

1-[(3-ethyloxetan-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1909337-75-2

Molecular Formula:

C9H13N3O3

Molecular Weight:

211.2178

MDL Number:

MFCD29055060

IUPAC Name:

1-[(3-ethyloxetan-3-yl)methyl]triazole-4-carboxylic acid

InChI:

InChI=1S/C9H13N3O3/c1-2-9(5-15-6-9)4-12-3-7(8(13)14)10-11-12/h3H,2,4-6H2,1H3,(H,13,14)

InChI Key:

JHVNFFKXOIZRBL-UHFFFAOYSA-N

SMILES:

CCC1(COC1)Cn1nnc(c1)C(=O)O

Complexity:

255

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.221g/mol

Monoisotopic Mass:

211.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1