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879090-29-6 | 9-Anthracenol, 2-ethyl-10-phenyl-, acetate
CAS No: 879090-29-6 Catalog No: AG004HKT MDL No:
Product Description
Catalog Number:
AG004HKT
Chemical Name:
9-Anthracenol, 2-ethyl-10-phenyl-, acetate
CAS Number:
879090-29-6
Molecular Formula:
C24H22O3
Molecular Weight:
358.4297
IUPAC Name:
acetic acid;2-ethyl-10-phenylanthracen-9-ol
InChI:
InChI=1S/C22H18O.C2H4O2/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16;1-2(3)4/h3-14,23H,2H2,1H3;1H3,(H,3,4)
InChI Key:
FUMQWRWJWMSWMH-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCc1ccc2c(c1)c(O)c1c(c2c2ccccc2)cccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.157g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.437g/mol
Monoisotopic Mass:
358.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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