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55418-52-5 | Piperonyl acetone
CAS No: 55418-52-5 Catalog No: AG003TT0 MDL No:MFCD00016910
Product Description
Catalog Number:
AG003TT0
Chemical Name:
Piperonyl acetone
CAS Number:
55418-52-5
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00016910
IUPAC Name:
4-(1,3-benzodioxol-5-yl)butan-2-one
InChI:
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChI Key:
TZJLGGWGVLADDN-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc2c(c1)OCO2
EC Number:
259-630-1
UNII:
081VVC9H34
NSC Number:
405365
FEMA Number:
2701
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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