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81485-24-7 | Cyclohexanone, 2-hydroperoxy-2-hydroxy-
CAS No: 81485-24-7 Catalog No: AG005K9U MDL No:
Product Description
Catalog Number:
AG005K9U
Chemical Name:
Cyclohexanone, 2-hydroperoxy-2-hydroxy-
CAS Number:
81485-24-7
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
2-hydroperoxy-2-hydroxycyclohexan-1-one
InChI:
InChI=1S/C6H10O4/c7-5-3-1-2-4-6(5,8)10-9/h8-9H,1-4H2
InChI Key:
LDYOJAHUDFLMDS-UHFFFAOYSA-N
SMILES:
OOC1(O)CCCCC1=O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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