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16354-55-5 | Benz[a]anthracene, 12-ethyl-7-methyl-
CAS No: 16354-55-5 Catalog No: AG001U85 MDL No:
Product Description
Catalog Number:
AG001U85
Chemical Name:
Benz[a]anthracene, 12-ethyl-7-methyl-
CAS Number:
16354-55-5
Molecular Formula:
C21H18
Molecular Weight:
270.3676
IUPAC Name:
12-ethyl-7-methylbenzo[a]anthracene
InChI:
InChI=1S/C21H18/c1-3-16-20-11-7-6-9-17(20)14(2)18-13-12-15-8-4-5-10-19(15)21(16)18/h4-13H,3H2,1-2H3
InChI Key:
FTMBVQWARWOALX-UHFFFAOYSA-N
SMILES:
CCc1c2ccccc2c(c2c1c1ccccc1cc2)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.375g/mol
Monoisotopic Mass:
270.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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