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Home > Fluorides > 100516-18-5
100516-18-5 | Benzo[k]fluoranthen-3-ol
CAS No: 100516-18-5 Catalog No: AG00027M MDL No:
Product Description
Catalog Number:
AG00027M
Chemical Name:
Benzo[k]fluoranthen-3-ol
CAS Number:
100516-18-5
Molecular Formula:
C20H12O
Molecular Weight:
268.3087
IUPAC Name:
benzo[k]fluoranthen-3-ol
InChI:
InChI=1S/C20H12O/c21-19-9-8-15-18-11-13-5-2-1-4-12(13)10-17(18)14-6-3-7-16(19)20(14)15/h1-11,21H
InChI Key:
OEAYRRFHJFFNIU-UHFFFAOYSA-N
SMILES:
Oc1ccc2c3c1cccc3c1c2cc2c(c1)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.315g/mol
Monoisotopic Mass:
268.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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