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Home > Aldehydes > 1374672-79-3
1374672-79-3 | 1H-1,2,3-Triazole-5-carboxaldehyde, 1-methyl-4-phenyl-
CAS No: 1374672-79-3 Catalog No: AG0013B9 MDL No:
Product Description
Catalog Number:
AG0013B9
Chemical Name:
1H-1,2,3-Triazole-5-carboxaldehyde, 1-methyl-4-phenyl-
CAS Number:
1374672-79-3
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
3-methyl-5-phenyltriazole-4-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c1-13-9(7-14)10(11-12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
UCQCSQBHJPBFEI-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)nnc1c1ccccc1
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:
1.1
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