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921588-27-4 | Isoxazole, 5-(cyclobutylmethyl)-3-methyl-
CAS No: 921588-27-4 Catalog No: AG006HXW MDL No:
Product Description
Catalog Number:
AG006HXW
Chemical Name:
Isoxazole, 5-(cyclobutylmethyl)-3-methyl-
CAS Number:
921588-27-4
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
5-(cyclobutylmethyl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C9H13NO/c1-7-5-9(11-10-7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChI Key:
SSXRFZYRJVDJOG-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CC1CCC1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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