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148335-60-8 | Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,8,9,11,12,17-hexol (9CI)
CAS No: 148335-60-8 Catalog No: AG001FMK MDL No:
Product Description
Catalog Number:
AG001FMK
Chemical Name:
Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,8,9,11,12,17-hexol (9CI)
CAS Number:
148335-60-8
Molecular Formula:
C19H22O6
Molecular Weight:
346.3744
IUPAC Name:
tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,8,9,11,12,17-hexol
InChI:
InChI=1S/C19H22O6/c20-14-3-1-10-5-12(14)13-6-11(2-4-15(13)21)8-17(23)19(25)9-18(24)16(22)7-10/h1-6,16-25H,7-9H2
InChI Key:
OEEVVKOBSPJYJH-UHFFFAOYSA-N
SMILES:
OC1CC(O)C(O)Cc2ccc(c(c3cc(CC1O)ccc3O)c2)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
346.379g/mol
Monoisotopic Mass:
346.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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