200,000+ products from a single source!
sales@angenechem.com
16681-68-8 | 1H-1,2,3-Triazole-4-carbaldehyde
CAS No: 16681-68-8 Catalog No: AG007WIL MDL No:MFCD12910478
Product Description
Catalog Number:
AG007WIL
Chemical Name:
1H-1,2,3-Triazole-4-carbaldehyde
CAS Number:
16681-68-8
Molecular Formula:
C3H3N3O
Molecular Weight:
97.0754
MDL Number:
MFCD12910478
IUPAC Name:
2H-triazole-4-carbaldehyde
InChI:
InChI=1S/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)
InChI Key:
MOLKLIYWXFEEJM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nn1
NSC Number:
20115
Properties
Complexity:
74.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.028g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.077g/mol
Monoisotopic Mass:
97.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control. | International journal of molecular sciences 20110101 |
| Recombinant truncated and microsomal heme oxygenase-1 and -2: differential sensitivity to inhibitors. | Canadian journal of physiology and pharmacology 20100401 |
| Rate of interfacial electron transfer through the 1,2,3-triazole linkage. | The journal of physical chemistry. B 20060817 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.