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77155-29-4 | Pentaneperoxoic acid, 5-carboxy-
CAS No: 77155-29-4 Catalog No: AG0055I1 MDL No:
Product Description
Catalog Number:
AG0055I1
Chemical Name:
Pentaneperoxoic acid, 5-carboxy-
CAS Number:
77155-29-4
Molecular Formula:
C6H10O5
Molecular Weight:
162.1406
IUPAC Name:
6-hydroperoxy-6-oxohexanoic acid
InChI:
InChI=1S/C6H10O5/c7-5(8)3-1-2-4-6(9)11-10/h10H,1-4H2,(H,7,8)
InChI Key:
KCAZSAYYICOMMG-UHFFFAOYSA-N
SMILES:
OOC(=O)CCCCC(=O)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.141g/mol
Monoisotopic Mass:
162.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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