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26899-64-9

26899-64-9 | 5-Phenyl-1H-1,2,4-triazole-3-carbaldehyde

CAS No: 26899-64-9 Catalog No: AG00BIPW MDL No:

Product Description

Catalog Number:
AG00BIPW
Chemical Name:
5-Phenyl-1H-1,2,4-triazole-3-carbaldehyde
CAS Number:
26899-64-9
IUPAC Name:
3-phenyl-1H-1,2,4-triazole-5-carbaldehyde
InChI:
InChI=1S/C9H7N3O/c13-6-8-10-9(12-11-8)7-4-2-1-3-5-7/h1-6H,(H,10,11,12)
InChI Key:
KGONHESTSCTJLO-UHFFFAOYSA-N

Properties

Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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