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114804-91-0 | 1-Nonanone, 1-(3-amino-1H-1,2,4-triazol-1-yl)-
CAS No: 114804-91-0 Catalog No: AG000F90 MDL No:
Product Description
Catalog Number:
AG000F90
Chemical Name:
1-Nonanone, 1-(3-amino-1H-1,2,4-triazol-1-yl)-
CAS Number:
114804-91-0
Molecular Formula:
C11H20N4O
Molecular Weight:
224.3027
IUPAC Name:
1-(3-amino-1,2,4-triazol-1-yl)nonan-1-one
InChI:
InChI=1S/C11H20N4O/c1-2-3-4-5-6-7-8-10(16)15-9-13-11(12)14-15/h9H,2-8H2,1H3,(H2,12,14)
InChI Key:
ZESPYVNTMGWVMJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)n1cnc(n1)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.164g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.308g/mol
Monoisotopic Mass:
224.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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