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102117-69-1 | 1,8-Pyrenedione, 3-methoxy-
CAS No: 102117-69-1 Catalog No: AG0006NQ MDL No:
Product Description
Catalog Number:
AG0006NQ
Chemical Name:
1,8-Pyrenedione, 3-methoxy-
CAS Number:
102117-69-1
Molecular Formula:
C17H10O3
Molecular Weight:
262.2595
IUPAC Name:
3-methoxypyrene-1,8-dione
InChI:
InChI=1S/C17H10O3/c1-20-15-8-14(19)11-6-5-10-13(18)7-3-9-2-4-12(15)17(11)16(9)10/h2-8H,1H3
InChI Key:
BTAUDIBKRLBCHE-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c3c1ccc1c3c(cc2)C(=O)C=C1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.264g/mol
Monoisotopic Mass:
262.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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