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1552459-54-7 | 4-cyclopropyl-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1552459-54-7 Catalog No: AG01BM62 MDL No:MFCD28624561
Product Description
Catalog Number:
AG01BM62
Chemical Name:
4-cyclopropyl-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1552459-54-7
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD28624561
IUPAC Name:
4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C6H7N3O/c10-3-6-8-7-4-9(6)5-1-2-5/h3-5H,1-2H2
InChI Key:
AZNXERIJHYHENT-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1C1CC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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