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114326-28-2 | Dibenz[a,j]anthracen-14-ol, 3-methoxy-, 14-acetate
CAS No: 114326-28-2 Catalog No: AG000B3L MDL No:
Product Description
Catalog Number:
AG000B3L
Chemical Name:
Dibenz[a,j]anthracen-14-ol, 3-methoxy-, 14-acetate
CAS Number:
114326-28-2
Molecular Formula:
C25H18O3
Molecular Weight:
366.4086
IUPAC Name:
(7-methoxy-2-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaenyl) acetate
InChI:
InChI=1S/C25H18O3/c1-15(26)28-25-23-18(9-7-16-5-3-4-6-21(16)23)13-19-10-8-17-14-20(27-2)11-12-22(17)24(19)25/h3-14H,1-2H3
InChI Key:
VGZNDHCASNIUGE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc1c2c(OC(=O)C)c2c(c1)ccc1c2cccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.126g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.416g/mol
Monoisotopic Mass:
366.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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