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80433-83-6 | (3r,4r)-1,2,3,4-tetrahydrotetraphene-3,4-diol
CAS No: 80433-83-6 Catalog No: AG0053A7 MDL No:
Product Description
Catalog Number:
AG0053A7
Chemical Name:
(3r,4r)-1,2,3,4-tetrahydrotetraphene-3,4-diol
CAS Number:
80433-83-6
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
(3R,4R)-1,2,3,4-tetrahydrobenzo[a]anthracene-3,4-diol
InChI:
InChI=1S/C18H16O2/c19-17-8-7-14-15(18(17)20)6-5-13-9-11-3-1-2-4-12(11)10-16(13)14/h1-6,9-10,17-20H,7-8H2/t17-,18-/m1/s1
InChI Key:
TWMOMMCFHGETNT-QZTJIDSGSA-N
SMILES:
O[C@@H]1CCc2c([C@H]1O)ccc1c2cc2ccccc2c1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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