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89509-98-8 | 1,2-Naphthalenedione, 3-ethoxy-
CAS No: 89509-98-8 Catalog No: AG0040T4 MDL No:
Product Description
Catalog Number:
AG0040T4
Chemical Name:
1,2-Naphthalenedione, 3-ethoxy-
CAS Number:
89509-98-8
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
IUPAC Name:
3-ethoxynaphthalene-1,2-dione
InChI:
InChI=1S/C12H10O3/c1-2-15-10-7-8-5-3-4-6-9(8)11(13)12(10)14/h3-7H,2H2,1H3
InChI Key:
RQPNXTDRLSAHHY-UHFFFAOYSA-N
SMILES:
CCOC1=Cc2ccccc2C(=O)C1=O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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