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74304-97-5 | Isoxazole,3-methyl-5-(1-methyl-1H-pyrrol-2-yl)-
CAS No: 74304-97-5 Catalog No: AG008QH2 MDL No:
Product Description
Catalog Number:
AG008QH2
Chemical Name:
Isoxazole,3-methyl-5-(1-methyl-1H-pyrrol-2-yl)-
CAS Number:
74304-97-5
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
InChI:
InChI=1S/C9H10N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h3-6H,1-2H3
InChI Key:
LSAOUOBXXJJVOC-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)c1cccn1C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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