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82735-49-7 | trans-8,9-dihydro-11-methylbenz(a)anthracene-8,9-diol
CAS No: 82735-49-7 Catalog No: AG004UUI MDL No:
Product Description
Catalog Number:
AG004UUI
Chemical Name:
trans-8,9-dihydro-11-methylbenz(a)anthracene-8,9-diol
CAS Number:
82735-49-7
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
(8R,9R)-11-methyl-8,9-dihydrobenzo[b]phenanthrene-8,9-diol
InChI:
InChI=1S/C19H16O2/c1-11-8-18(20)19(21)17-9-13-7-6-12-4-2-3-5-14(12)16(13)10-15(11)17/h2-10,18-21H,1H3/t18-,19-/m1/s1
InChI Key:
CPYYFIDRYZIXSK-RTBURBONSA-N
SMILES:
O[C@@H]1C=C(C)c2c([C@H]1O)cc1c(c2)c2ccccc2cc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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