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1174882-04-2

1174882-04-2 | 5-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)ISOXAZOLE

CAS No: 1174882-04-2 Catalog No: AG01AOGT MDL No:MFCD10699072

Product Description

Catalog Number:
AG01AOGT
Chemical Name:
5-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)ISOXAZOLE
CAS Number:
1174882-04-2
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD10699072
IUPAC Name:
5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole
InChI:
InChI=1S/C9H11N3O/c1-3-12-7(2)8(6-10-12)9-4-5-11-13-9/h4-6H,3H2,1-2H3
InChI Key:
ZVOUUAONDBPGMY-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1C)c1ccno1

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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