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16277-48-8 | Benz[a]anthracene-7,12-dione, 4-methoxy-
CAS No: 16277-48-8 Catalog No: AG001TF8 MDL No:
Product Description
Catalog Number:
AG001TF8
Chemical Name:
Benz[a]anthracene-7,12-dione, 4-methoxy-
CAS Number:
16277-48-8
Molecular Formula:
C19H12O3
Molecular Weight:
288.2968
IUPAC Name:
4-methoxybenzo[a]anthracene-7,12-dione
InChI:
InChI=1S/C19H12O3/c1-22-16-8-4-7-12-11(16)9-10-15-17(12)19(21)14-6-3-2-5-13(14)18(15)20/h2-10H,1H3
InChI Key:
BFXVOKSSMNXCGP-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccc1c2C(=O)c2c(C1=O)cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.302g/mol
Monoisotopic Mass:
288.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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