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116208-75-4 | Benzo[k]fluoranthene, 7-methoxy-
CAS No: 116208-75-4 Catalog No: AG000BWW MDL No:
Product Description
Catalog Number:
AG000BWW
Chemical Name:
Benzo[k]fluoranthene, 7-methoxy-
CAS Number:
116208-75-4
Molecular Formula:
C21H14O
Molecular Weight:
282.3353
IUPAC Name:
7-methoxybenzo[k]fluoranthene
InChI:
InChI=1S/C21H14O/c1-22-21-15-9-3-2-6-14(15)12-18-16-10-4-7-13-8-5-11-17(19(13)16)20(18)21/h2-12H,1H3
InChI Key:
JEKYPFVSTRYWPG-UHFFFAOYSA-N
SMILES:
COc1c2ccccc2cc2c1c1cccc3c1c2ccc3
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.342g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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