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18868-66-1 | Benz[a]anthracene, 12-ethyl-
CAS No: 18868-66-1 Catalog No: AG002H5E MDL No:
Product Description
Catalog Number:
AG002H5E
Chemical Name:
Benz[a]anthracene, 12-ethyl-
CAS Number:
18868-66-1
Molecular Formula:
C20H16
Molecular Weight:
256.3410
IUPAC Name:
12-ethylbenzo[a]anthracene
InChI:
InChI=1S/C20H16/c1-2-17-18-9-5-4-8-15(18)13-16-12-11-14-7-3-6-10-19(14)20(16)17/h3-13H,2H2,1H3
InChI Key:
ZZIFQBYIKWXEHJ-UHFFFAOYSA-N
SMILES:
CCc1c2ccccc2cc2c1c1ccccc1cc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.348g/mol
Monoisotopic Mass:
256.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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