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7146-96-5 | 9-Anthracenol,3-methoxy-, 9-acetate
CAS No: 7146-96-5 Catalog No: AG005HRR MDL No:
Product Description
Catalog Number:
AG005HRR
Chemical Name:
9-Anthracenol,3-methoxy-, 9-acetate
CAS Number:
7146-96-5
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
(3-methoxyanthracen-9-yl) acetate
InChI:
InChI=1S/C17H14O3/c1-11(18)20-17-15-6-4-3-5-12(15)9-13-10-14(19-2)7-8-16(13)17/h3-10H,1-2H3
InChI Key:
OGKGSMGCLIMCRF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc1c(c2OC(=O)C)cccc1
NSC Number:
42100
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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