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1017781-39-3 | 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-hydroxy-6-methoxy-, sodium salt (1:1)
CAS No: 1017781-39-3 Catalog No: AG0005I3 MDL No:MFCD05663953
Product Description
Catalog Number:
AG0005I3
Chemical Name:
2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-hydroxy-6-methoxy-, sodium salt (1:1)
CAS Number:
1017781-39-3
Molecular Formula:
C11H13NaO5S
Molecular Weight:
280.2727
MDL Number:
MFCD05663953
IUPAC Name:
sodium;2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-sulfonate
InChI:
InChI=1S/C11H14O5S.Na/c1-16-10-3-2-9-7-11(12,17(13,14)15)5-4-8(9)6-10;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15);/q;+1/p-1
InChI Key:
GFJNXQPSLNNYCJ-UHFFFAOYSA-M
SMILES:
COc1ccc2c(c1)CCC(C2)(O)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.27g/mol
Monoisotopic Mass:
280.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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