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114311-17-0 | 9-Anthracenol, 10-[2-(acetyloxy)-4-ethylphenyl]-, 9-acetate
CAS No: 114311-17-0 Catalog No: AG000B2B MDL No:
Product Description
Catalog Number:
AG000B2B
Chemical Name:
9-Anthracenol, 10-[2-(acetyloxy)-4-ethylphenyl]-, 9-acetate
CAS Number:
114311-17-0
Molecular Formula:
C26H22O4
Molecular Weight:
398.4505
IUPAC Name:
acetic acid;[5-ethyl-2-(10-hydroxyanthracen-9-yl)phenyl] acetate
InChI:
InChI=1S/C24H20O3.C2H4O2/c1-3-16-12-13-21(22(14-16)27-15(2)25)23-17-8-4-6-10-19(17)24(26)20-11-7-5-9-18(20)23;1-2(3)4/h4-14,26H,3H2,1-2H3;1H3,(H,3,4)
InChI Key:
DVUSYCLVLWSLGN-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)OC(=O)C)c1c2ccccc2c(c2c1cccc2)OC(=O)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.162g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.473g/mol
Monoisotopic Mass:
416.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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