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Home > Aldehydes > 103532-75-8
103532-75-8 | 1H-1,2,3-Triazole-4,5-dicarboxaldehyde, 1-(phenylmethyl)-
CAS No: 103532-75-8 Catalog No: AG007XEB MDL No:
Product Description
Catalog Number:
AG007XEB
Chemical Name:
1H-1,2,3-Triazole-4,5-dicarboxaldehyde, 1-(phenylmethyl)-
CAS Number:
103532-75-8
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
1-benzyltriazole-4,5-dicarbaldehyde
InChI:
InChI=1S/C11H9N3O2/c15-7-10-11(8-16)14(13-12-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
AAVUCWJDTFXLPW-UHFFFAOYSA-N
SMILES:
O=Cc1c(C=O)nnn1Cc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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