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Home > Aldehydes > 959977-72-1
959977-72-1 | 1,2,4-TRIAZOLO[4,3-A]PYRIDINE-6-CARBOXALDEHYDE, 3-(1,1-DIMETHYLETHYL)-
CAS No: 959977-72-1 Catalog No: AG0069NI MDL No:
Product Description
Catalog Number:
AG0069NI
Chemical Name:
1,2,4-TRIAZOLO[4,3-A]PYRIDINE-6-CARBOXALDEHYDE, 3-(1,1-DIMETHYLETHYL)-
CAS Number:
959977-72-1
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
InChI:
InChI=1S/C11H13N3O/c1-11(2,3)10-13-12-9-5-4-8(7-15)6-14(9)10/h4-7H,1-3H3
InChI Key:
UMCCKUGHTJWJGH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2n(c1)c(nn2)C(C)(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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