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136944-43-9 | 2,3-Naphthalenediol, 6-ethyl-
CAS No: 136944-43-9 Catalog No: AG0012L2 MDL No:
Product Description
Catalog Number:
AG0012L2
Chemical Name:
2,3-Naphthalenediol, 6-ethyl-
CAS Number:
136944-43-9
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
6-ethylnaphthalene-2,3-diol
InChI:
InChI=1S/C12H12O2/c1-2-8-3-4-9-6-11(13)12(14)7-10(9)5-8/h3-7,13-14H,2H2,1H3
InChI Key:
NDJJECGAJBVPJR-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)cc(c(c2)O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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