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108804-50-8 | 1-Acetyl-2,6-dihydroxynaphthalene
CAS No: 108804-50-8 Catalog No: AG003DW9 MDL No:MFCD24725628
Product Description
Catalog Number:
AG003DW9
Chemical Name:
1-Acetyl-2,6-dihydroxynaphthalene
CAS Number:
108804-50-8
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD24725628
IUPAC Name:
1-(2,6-dihydroxynaphthalen-1-yl)ethanone
InChI:
InChI=1S/C12H10O3/c1-7(13)12-10-4-3-9(14)6-8(10)2-5-11(12)15/h2-6,14-15H,1H3
InChI Key:
BXEYIDZNPJQWFK-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)ccc(c2C(=O)C)O
Properties
Complexity:
251
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:
2
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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