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100058-82-0 | 2H-Cycloocta[b]pyran-2-one, 5,6,7,8,9,10-hexahydro-4-hydroxy-
CAS No: 100058-82-0 Catalog No: AG0000RZ MDL No:MFCD27940747
Product Description
Catalog Number:
AG0000RZ
Chemical Name:
2H-Cycloocta[b]pyran-2-one, 5,6,7,8,9,10-hexahydro-4-hydroxy-
CAS Number:
100058-82-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD27940747
IUPAC Name:
4-hydroxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-2-one
InChI:
InChI=1S/C11H14O3/c12-9-7-11(13)14-10-6-4-2-1-3-5-8(9)10/h7,12H,1-6H2
InChI Key:
BOYQHDVXWSILRJ-UHFFFAOYSA-N
SMILES:
O=c1oc2CCCCCCc2c(c1)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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