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114326-30-6 | Dibenz[a,j]anthracen-3-ol, 7,14-dimethyl-
CAS No: 114326-30-6 Catalog No: AG000B3J MDL No:
Product Description
Catalog Number:
AG000B3J
Chemical Name:
Dibenz[a,j]anthracen-3-ol, 7,14-dimethyl-
CAS Number:
114326-30-6
Molecular Formula:
C24H18O
Molecular Weight:
322.3991
IUPAC Name:
2,13-dimethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaen-7-ol
InChI:
InChI=1S/C24H18O/c1-14-19-10-7-16-5-3-4-6-21(16)23(19)15(2)24-20(14)11-8-17-13-18(25)9-12-22(17)24/h3-13,25H,1-2H3
InChI Key:
PEKHNJOQYKIVSH-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)ccc1c2c(C)c2c(c1C)ccc1c2cccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.407g/mol
Monoisotopic Mass:
322.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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