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116053-74-8 | 9,10-Anthracenedione, 1-hydroxy-4-(2-methylenebutoxy)-
CAS No: 116053-74-8 Catalog No: AG000BH7 MDL No:
Product Description
Catalog Number:
AG000BH7
Chemical Name:
9,10-Anthracenedione, 1-hydroxy-4-(2-methylenebutoxy)-
CAS Number:
116053-74-8
Molecular Formula:
C19H16O4
Molecular Weight:
308.3279
IUPAC Name:
1-hydroxy-4-(2-methylidenebutoxy)anthracene-9,10-dione
InChI:
InChI=1S/C19H16O4/c1-3-11(2)10-23-15-9-8-14(20)16-17(15)19(22)13-7-5-4-6-12(13)18(16)21/h4-9,20H,2-3,10H2,1H3
InChI Key:
VOXJCVHJPZLPEE-UHFFFAOYSA-N
SMILES:
CCC(=C)COc1ccc(c2c1C(=O)c1ccccc1C2=O)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.333g/mol
Monoisotopic Mass:
308.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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