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1015-00-5 | Isoxazole, 4,5-dihydro-3-methyl-5-octyl-
CAS No: 1015-00-5 Catalog No: AG0004N9 MDL No:
Product Description
Catalog Number:
AG0004N9
Chemical Name:
Isoxazole, 4,5-dihydro-3-methyl-5-octyl-
CAS Number:
1015-00-5
Molecular Formula:
C12H23NO
Molecular Weight:
197.3171
IUPAC Name:
3-methyl-5-octyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C12H23NO/c1-3-4-5-6-7-8-9-12-10-11(2)13-14-12/h12H,3-10H2,1-2H3
InChI Key:
IZGOKSMDLTZGJV-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1ON=C(C1)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.322g/mol
Monoisotopic Mass:
197.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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