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39190-09-5 | 3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole
CAS No: 39190-09-5 Catalog No: AG00D40N MDL No:
Product Description
Catalog Number:
AG00D40N
Chemical Name:
3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole
CAS Number:
39190-09-5
IUPAC Name:
3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)-1,2-oxazole
InChI:
InChI=1S/C13H19NO/c1-9-6-5-7-13(3,4)12(9)11-8-10(2)14-15-11/h6,8,12H,5,7H2,1-4H3
InChI Key:
UEBXVANRKDLJNF-UHFFFAOYSA-N
EC Number:
254-341-7
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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