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Home > Aldehydes > 1393539-81-5
1393539-81-5 | 1-(2-METHYLPROPYL)-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE
CAS No: 1393539-81-5 Catalog No: AG01DVZZ MDL No:MFCD21715273
Product Description
Catalog Number:
AG01DVZZ
Chemical Name:
1-(2-METHYLPROPYL)-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE
CAS Number:
1393539-81-5
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD21715273
IUPAC Name:
1-(2-methylpropyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C7H11N3O/c1-6(2)3-10-4-7(5-11)8-9-10/h4-6H,3H2,1-2H3
InChI Key:
WEEAFBUWHXMBRB-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)CC(C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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