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Home > Other Building Blocks > 81824-11-5
81824-11-5 | Benz(e)acephenanthrylene-11,12-diol, 11,12-dihydro-, trans-
CAS No: 81824-11-5 Catalog No: AG005HU7 MDL No:
Product Description
Catalog Number:
AG005HU7
Chemical Name:
Benz(e)acephenanthrylene-11,12-diol, 11,12-dihydro-, trans-
CAS Number:
81824-11-5
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
(14S,15S)-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,16,18-nonaene-14,15-diol
InChI:
InChI=1S/C20H14O2/c21-17-9-8-11-10-16-13-5-2-1-4-12(13)14-6-3-7-15(19(14)16)18(11)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1
InChI Key:
SGNYHFQNLVWBFM-FXAWDEMLSA-N
SMILES:
O[C@@H]1C=Cc2c([C@H]1O)c1cccc3c1c(c2)c1c3cccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.33g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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