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100780-04-9 | [4,4'-Biphenanthrene]-3,3'-diol
CAS No: 100780-04-9 Catalog No: AG0002VD MDL No:
Product Description
Catalog Number:
AG0002VD
Chemical Name:
[4,4'-Biphenanthrene]-3,3'-diol
CAS Number:
100780-04-9
Molecular Formula:
C28H18O2
Molecular Weight:
386.4413
IUPAC Name:
4-(3-hydroxyphenanthren-4-yl)phenanthren-3-ol
InChI:
InChI=1S/C28H18O2/c29-23-15-13-19-11-9-17-5-1-3-7-21(17)25(19)27(23)28-24(30)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16,29-30H
InChI Key:
NBWRXHUVCCXVBP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1c1c(O)ccc3c1c1ccccc1cc3)c1ccccc1cc2
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.45g/mol
Monoisotopic Mass:
386.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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