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100257-07-6 | Cyclonona[b]pyran-2(5H)-one, 6,7,8,9,10,11-hexahydro-4-hydroxy-
CAS No: 100257-07-6 Catalog No: AG0001ET MDL No:
Product Description
Catalog Number:
AG0001ET
Chemical Name:
Cyclonona[b]pyran-2(5H)-one, 6,7,8,9,10,11-hexahydro-4-hydroxy-
CAS Number:
100257-07-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
4-hydroxy-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyran-2-one
InChI:
InChI=1S/C12H16O3/c13-10-8-12(14)15-11-7-5-3-1-2-4-6-9(10)11/h8,13H,1-7H2
InChI Key:
RMZZSILIERFHNX-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(o1)CCCCCCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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