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102360-09-8 | Ethanone, 1-(1,5-dihydroxy-2-naphthalenyl)-
CAS No: 102360-09-8 Catalog No: AG0007A4 MDL No:
Product Description
Catalog Number:
AG0007A4
Chemical Name:
Ethanone, 1-(1,5-dihydroxy-2-naphthalenyl)-
CAS Number:
102360-09-8
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
IUPAC Name:
1-(1,5-dihydroxynaphthalen-2-yl)ethanone
InChI:
InChI=1S/C12H10O3/c1-7(13)8-5-6-9-10(12(8)15)3-2-4-11(9)14/h2-6,14-15H,1H3
InChI Key:
XMDVJNKXILLLDF-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1O)cccc2O
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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