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92658-77-0 | 1-[1-(5-METHYLISOXAZOL-3-YL)-1H-1,2,4-TRIAZOL-3-YL]ACETONE
CAS No: 92658-77-0 Catalog No: AG00GRXU MDL No:MFCD00052562
Product Description
Catalog Number:
AG00GRXU
Chemical Name:
1-[1-(5-METHYLISOXAZOL-3-YL)-1H-1,2,4-TRIAZOL-3-YL]ACETONE
CAS Number:
92658-77-0
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
MDL Number:
MFCD00052562
IUPAC Name:
1-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propan-2-one
InChI:
InChI=1S/C9H10N4O2/c1-6(14)3-8-10-5-13(11-8)9-4-7(2)15-12-9/h4-5H,3H2,1-2H3
InChI Key:
RYCXPURJFYPSKV-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ncn(n1)c1noc(c1)C
NSC Number:
379580
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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