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89220-54-2 | 1,2-Propanediol, 2-phenyl-3-(1H-1,2,4-triazol-1-yl)-
CAS No: 89220-54-2 Catalog No: AG0043MF MDL No:
Product Description
Catalog Number:
AG0043MF
Chemical Name:
1,2-Propanediol, 2-phenyl-3-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89220-54-2
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
2-phenyl-3-(1,2,4-triazol-1-yl)propane-1,2-diol
InChI:
InChI=1S/C11H13N3O2/c15-7-11(16,6-14-9-12-8-13-14)10-4-2-1-3-5-10/h1-5,8-9,15-16H,6-7H2
InChI Key:
LGCWBIXOABPPIZ-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)(Cn1cncn1)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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