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823189-31-7 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-phenyl-1-(2-phenylethyl)-
CAS No: 823189-31-7 Catalog No: AG00552E MDL No:
Product Description
Catalog Number:
AG00552E
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-phenyl-1-(2-phenylethyl)-
CAS Number:
823189-31-7
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
5-phenyl-1-(2-phenylethyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C17H15N3O2/c21-17(22)15-16(14-9-5-2-6-10-14)20(19-18-15)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,21,22)
InChI Key:
LTGYRKGYDXPGGU-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1c1ccccc1)CCc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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