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191404-57-6 | 1-Naphthalenecarboxylic acid, 8-[[2-(hydroxymethyl)phenyl]sulfinyl]-
CAS No: 191404-57-6 Catalog No: AG002F7B MDL No:MFCD00204542
Product Description
Catalog Number:
AG002F7B
Chemical Name:
1-Naphthalenecarboxylic acid, 8-[[2-(hydroxymethyl)phenyl]sulfinyl]-
CAS Number:
191404-57-6
Molecular Formula:
C18H14O4S
Molecular Weight:
326.3664
MDL Number:
MFCD00204542
IUPAC Name:
8-[2-(hydroxymethyl)phenyl]sulfinylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C18H14O4S/c19-11-13-5-1-2-9-15(13)23(22)16-10-4-7-12-6-3-8-14(17(12)16)18(20)21/h1-10,19H,11H2,(H,20,21)
InChI Key:
OPOVHZXRINWAGD-UHFFFAOYSA-N
SMILES:
OCc1ccccc1S(=O)c1cccc2c1c(ccc2)C(=O)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.366g/mol
Monoisotopic Mass:
326.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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