200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1333542-85-0
1333542-85-0 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-cyclohexyl-
CAS No: 1333542-85-0 Catalog No: AG0014Q3 MDL No:MFCD16666483
Product Description
Catalog Number:
AG0014Q3
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-cyclohexyl-
CAS Number:
1333542-85-0
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD16666483
IUPAC Name:
1-cyclohexyltriazole-4-carboxylic acid
InChI:
InChI=1S/C9H13N3O2/c13-9(14)8-6-12(11-10-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14)
InChI Key:
OHQZQJMGYRDNTQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)C1CCCCC1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.