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89060-36-6 | 1H-1,2,4-Triazole-5-carboxaldehyde, 1-methyl-3-phenyl-
CAS No: 89060-36-6 Catalog No: AG0041L5 MDL No:MFCD24677268
Product Description
Catalog Number:
AG0041L5
Chemical Name:
1H-1,2,4-Triazole-5-carboxaldehyde, 1-methyl-3-phenyl-
CAS Number:
89060-36-6
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD24677268
IUPAC Name:
2-methyl-5-phenyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c1-13-9(7-14)11-10(12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
JHKVHSBAXNHYET-UHFFFAOYSA-N
SMILES:
O=Cc1nc(nn1C)c1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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