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PIPERONYL ISOBUTYRATE

CAS No.:
5461-08-5
Catalog Number:
AG003TT1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003TT1
Chemical Name:
PIPERONYL ISOBUTYRATE
CAS Number:
5461-08-5
MDL Number:
MFCD00005826
IUPAC Name:
1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
InChI:
InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
InChI Key:
RQULTIASPCVEFO-UHFFFAOYSA-N
EC Number:
226-745-3
UNII:
Y8HBR1ACYA
NSC Number:
23947
FEMA Number:
2913
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties