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101451-69-8 | 9,10-Anthracenedione, 2-(ethoxymethyl)-1-hydroxy-
CAS No: 101451-69-8 Catalog No: AG0004I2 MDL No:
Product Description
Catalog Number:
AG0004I2
Chemical Name:
9,10-Anthracenedione, 2-(ethoxymethyl)-1-hydroxy-
CAS Number:
101451-69-8
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
2-(ethoxymethyl)-1-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C17H14O4/c1-2-21-9-10-7-8-13-14(15(10)18)17(20)12-6-4-3-5-11(12)16(13)19/h3-8,18H,2,9H2,1H3
InChI Key:
QZDBKOGMXKMLQE-UHFFFAOYSA-N
SMILES:
CCOCc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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