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Home > Aldehydes > 177028-45-4
177028-45-4 | 4H-1,2,4-Triazole-3-carboxaldehyde, 4-(phenylmethyl)-
CAS No: 177028-45-4 Catalog No: AG00AT4L MDL No:MFCD20527536
Product Description
Catalog Number:
AG00AT4L
Chemical Name:
4H-1,2,4-Triazole-3-carboxaldehyde, 4-(phenylmethyl)-
CAS Number:
177028-45-4
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD20527536
IUPAC Name:
4-benzyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c14-7-10-12-11-8-13(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
HPXAYPCPSBFHHE-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1Cc1ccccc1
Properties
Complexity:
192
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:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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