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85696-63-5 | Benzenepentaneperoxoic acid
CAS No: 85696-63-5 Catalog No: AG004ZM2 MDL No:
Product Description
Catalog Number:
AG004ZM2
Chemical Name:
Benzenepentaneperoxoic acid
CAS Number:
85696-63-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
5-phenylpentaneperoxoic acid
InChI:
InChI=1S/C11H14O3/c12-11(14-13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2
InChI Key:
ODRFGCNFPSJXHR-UHFFFAOYSA-N
SMILES:
OOC(=O)CCCCc1ccccc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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