Name: Name:1-[(oxolan-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BVMG
Rating: 90 (10 reviews)

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

CAS No.:

1248946-64-6

Catalog Number:

AG01BVMG

Molecular Formula:

C8H11N3O3

Molecular Weight:

197.1912

Catalog Number:

AG01BVMG

Chemical Name:

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

CAS Number:

1248946-64-6

Molecular Formula:

C8H11N3O3

Molecular Weight:

197.1912

MDL Number:

MFCD16674237

IUPAC Name:

1-(oxolan-3-ylmethyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C8H11N3O3/c12-8(13)7-4-11(10-9-7)3-6-1-2-14-5-6/h4,6H,1-3,5H2,(H,12,13)

InChI Key:

XYHRNKMEKLECCT-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1)CC1COCC1

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.194g/mol

Monoisotopic Mass:

197.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3