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29181-96-2 | 2-Naphthalenesulfonic acid, 6-methyl-
CAS No: 29181-96-2 Catalog No: AG002XMA MDL No:
Product Description
Catalog Number:
AG002XMA
Chemical Name:
2-Naphthalenesulfonic acid, 6-methyl-
CAS Number:
29181-96-2
Molecular Formula:
C11H10O3S
Molecular Weight:
222.2603
IUPAC Name:
6-methylnaphthalene-2-sulfonic acid
InChI:
InChI=1S/C11H10O3S/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8/h2-7H,1H3,(H,12,13,14)
InChI Key:
UGDHIURSEUVFCE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(c2)S(=O)(=O)O
UNII:
WW1B17LY4Z
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.258g/mol
Monoisotopic Mass:
222.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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