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1251-78-1 | 9-Anthracenol, 10-[4-(acetyloxy)phenyl]-2-methyl-, 9-acetate
CAS No: 1251-78-1 Catalog No: AG000N5G MDL No:
Product Description
Catalog Number:
AG000N5G
Chemical Name:
9-Anthracenol, 10-[4-(acetyloxy)phenyl]-2-methyl-, 9-acetate
CAS Number:
1251-78-1
Molecular Formula:
C25H20O4
Molecular Weight:
384.4239
IUPAC Name:
acetic acid;[4-(10-hydroxy-3-methylanthracen-9-yl)phenyl] acetate
InChI:
InChI=1S/C23H18O3.C2H4O2/c1-14-7-12-19-21(13-14)23(25)20-6-4-3-5-18(20)22(19)16-8-10-17(11-9-16)26-15(2)24;1-2(3)4/h3-13,25H,1-2H3;1H3,(H,3,4)
InChI Key:
YCUCFDQLYAZFPN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)c1c2ccccc2c(c2c1ccc(c2)C)OC(=O)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.147g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.446g/mol
Monoisotopic Mass:
402.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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