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143713-49-9 | Propanoic acid, 2-hydroperoxy-, cyclohexyl ester
CAS No: 143713-49-9 Catalog No: AG001I9F MDL No:
Product Description
Catalog Number:
AG001I9F
Chemical Name:
Propanoic acid, 2-hydroperoxy-, cyclohexyl ester
CAS Number:
143713-49-9
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
cyclohexyl 2-hydroperoxypropanoate
InChI:
InChI=1S/C9H16O4/c1-7(13-11)9(10)12-8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3
InChI Key:
HNRNIBCQBQIYHG-UHFFFAOYSA-N
SMILES:
OOC(C(=O)OC1CCCCC1)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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