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Home > Aldehydes > 111340-46-6
111340-46-6 | 1-(propan-2-yl)-1H-1,2,4-triazole-5-carbaldehyde
CAS No: 111340-46-6 Catalog No: AG01C5SQ MDL No:MFCD22396911
Product Description
Catalog Number:
AG01C5SQ
Chemical Name:
1-(propan-2-yl)-1H-1,2,4-triazole-5-carbaldehyde
CAS Number:
111340-46-6
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD22396911
IUPAC Name:
2-propan-2-yl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C6H9N3O/c1-5(2)9-6(3-10)7-4-8-9/h3-5H,1-2H3
InChI Key:
TYWUNCWYXLHNNY-UHFFFAOYSA-N
SMILES:
O=Cc1ncnn1C(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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