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1486437-21-1 | 1-(2-hydroxybutyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS No: 1486437-21-1 Catalog No: AG01BRXT MDL No:MFCD21715343
Product Description
Catalog Number:
AG01BRXT
Chemical Name:
1-(2-hydroxybutyl)-1H-1,2,3-triazole-4-carbaldehyde
CAS Number:
1486437-21-1
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD21715343
IUPAC Name:
1-(2-hydroxybutyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C7H11N3O2/c1-2-7(12)4-10-3-6(5-11)8-9-10/h3,5,7,12H,2,4H2,1H3
InChI Key:
IYIJHZMFOVTNHM-UHFFFAOYSA-N
SMILES:
CCC(Cn1cc(nn1)C=O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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