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Home > Aldehydes > 1556310-54-3
1556310-54-3 | 4-(propan-2-yl)-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1556310-54-3 Catalog No: AG01BJ31 MDL No:MFCD26938694
Product Description
Catalog Number:
AG01BJ31
Chemical Name:
4-(propan-2-yl)-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1556310-54-3
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD26938694
IUPAC Name:
4-propan-2-yl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C6H9N3O/c1-5(2)9-4-7-8-6(9)3-10/h3-5H,1-2H3
InChI Key:
FRWMDMMESWEKFU-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1C(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:
-0.1
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