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1174864-93-7 | 5-(1-METHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS No: 1174864-93-7 Catalog No: AG01AOGS MDL No:MFCD10699071
Product Description
Catalog Number:
AG01AOGS
Chemical Name:
5-(1-METHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS Number:
1174864-93-7
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD10699071
IUPAC Name:
5-(1-methylpyrazol-4-yl)-1,2-oxazole
InChI:
InChI=1S/C7H7N3O/c1-10-5-6(4-8-10)7-2-3-9-11-7/h2-5H,1H3
InChI Key:
NGEMMCCKCRZJCS-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccno1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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