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1554455-79-6 | 4-(2-methylpropyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1554455-79-6 Catalog No: AG01BM61 MDL No:MFCD28625015
Product Description
Catalog Number:
AG01BM61
Chemical Name:
4-(2-methylpropyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1554455-79-6
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD28625015
IUPAC Name:
4-(2-methylpropyl)-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C7H11N3O/c1-6(2)3-10-5-8-9-7(10)4-11/h4-6H,3H2,1-2H3
InChI Key:
IEUQVEJZRAUYJH-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1CC(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:
0.5
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