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921588-34-3 | Isoxazole, 5-(2-cyclopentylethyl)-3-methyl-
CAS No: 921588-34-3 Catalog No: AG006HXV MDL No:
Product Description
Catalog Number:
AG006HXV
Chemical Name:
Isoxazole, 5-(2-cyclopentylethyl)-3-methyl-
CAS Number:
921588-34-3
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
5-(2-cyclopentylethyl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C11H17NO/c1-9-8-11(13-12-9)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3
InChI Key:
WREHPGQOBDIUBP-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCC1CCCC1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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