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132425-81-1 | 2,3-Naphthalenediol, 6-[(2-hydroxyethyl)thio]-
CAS No: 132425-81-1 Catalog No: AG0010OF MDL No:
Product Description
Catalog Number:
AG0010OF
Chemical Name:
2,3-Naphthalenediol, 6-[(2-hydroxyethyl)thio]-
CAS Number:
132425-81-1
Molecular Formula:
C12H12O3S
Molecular Weight:
236.2869
IUPAC Name:
6-(2-hydroxyethylsulfanyl)naphthalene-2,3-diol
InChI:
InChI=1S/C12H12O3S/c13-3-4-16-10-2-1-8-6-11(14)12(15)7-9(8)5-10/h1-2,5-7,13-15H,3-4H2
InChI Key:
DACPTSXVYFIDDB-UHFFFAOYSA-N
SMILES:
OCCSc1ccc2c(c1)cc(c(c2)O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.285g/mol
Monoisotopic Mass:
236.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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