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18787-79-6 | Benz[a]anthracene-12-methanol, 4-hydroxy-7-methyl-
CAS No: 18787-79-6 Catalog No: AG002GJE MDL No:
Product Description
Catalog Number:
AG002GJE
Chemical Name:
Benz[a]anthracene-12-methanol, 4-hydroxy-7-methyl-
CAS Number:
18787-79-6
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
IUPAC Name:
12-(hydroxymethyl)-7-methylbenzo[a]anthracen-4-ol
InChI:
InChI=1S/C20H16O2/c1-12-13-5-2-3-6-15(13)18(11-21)20-14(12)9-10-16-17(20)7-4-8-19(16)22/h2-10,21-22H,11H2,1H3
InChI Key:
HOQKJCIBWFVFMH-UHFFFAOYSA-N
SMILES:
OCc1c2c(ccc3c2cccc3O)c(c2c1cccc2)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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