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3058-35-3 | Nonaneperoxoic acid
CAS No: 3058-35-3 Catalog No: AG0030L9 MDL No:
Product Description
Catalog Number:
AG0030L9
Chemical Name:
Nonaneperoxoic acid
CAS Number:
3058-35-3
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
nonaneperoxoic acid
InChI:
InChI=1S/C9H18O3/c1-2-3-4-5-6-7-8-9(10)12-11/h11H,2-8H2,1H3
InChI Key:
YPHMCUWNPAXYOX-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OO
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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