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158749-38-3 | Ethanone, 1-(4-hydroxy-3-methyl-1-naphthalenyl)-
CAS No: 158749-38-3 Catalog No: AG001QU8 MDL No:
Product Description
Catalog Number:
AG001QU8
Chemical Name:
Ethanone, 1-(4-hydroxy-3-methyl-1-naphthalenyl)-
CAS Number:
158749-38-3
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
1-(4-hydroxy-3-methylnaphthalen-1-yl)ethanone
InChI:
InChI=1S/C13H12O2/c1-8-7-12(9(2)14)10-5-3-4-6-11(10)13(8)15/h3-7,15H,1-2H3
InChI Key:
NSMJDEQZUHKBRZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(C)c(c2c1cccc2)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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