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Home > Fluorides > 100333-37-7
100333-37-7 | Benzo[j]fluoranthene-3,4-diol, 3,4-dihydro-
CAS No: 100333-37-7 Catalog No: AG0001N3 MDL No:
Product Description
Catalog Number:
AG0001N3
Chemical Name:
Benzo[j]fluoranthene-3,4-diol, 3,4-dihydro-
CAS Number:
100333-37-7
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,9,12,14,16(20),17-nonaene-6,7-diol
InChI:
InChI=1S/C20H14O2/c21-17-10-9-14-15(20(17)22)8-7-13-12-5-1-3-11-4-2-6-16(18(11)12)19(13)14/h1-10,17,20-22H
InChI Key:
LTGGAYWYOQVIEE-UHFFFAOYSA-N
SMILES:
OC1C=CC2=c3c(=C4C2=C1C(O)C=C4)ccc1c3cccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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