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115392-08-0 | Benz[a]anthracene-10,11-diol, 7-ethyl-10,11-dihydro-
CAS No: 115392-08-0 Catalog No: AG000FX3 MDL No:
Product Description
Catalog Number:
AG000FX3
Chemical Name:
Benz[a]anthracene-10,11-diol, 7-ethyl-10,11-dihydro-
CAS Number:
115392-08-0
Molecular Formula:
C20H18O2
Molecular Weight:
290.3557
IUPAC Name:
7-ethyl-10,11-dihydrobenzo[a]anthracene-10,11-diol
InChI:
InChI=1S/C20H18O2/c1-2-13-15-8-7-12-5-3-4-6-14(12)17(15)11-18-16(13)9-10-19(21)20(18)22/h3-11,19-22H,2H2,1H3
InChI Key:
BDJXYMFOJVRMQG-UHFFFAOYSA-N
SMILES:
CCc1c2C=CC(C(c2cc2c1ccc1c2cccc1)O)O
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.362g/mol
Monoisotopic Mass:
290.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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