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29036-17-7 | Naphthalenesulfonic acid, 1-hydroxy- (8CI,9CI)
CAS No: 29036-17-7 Catalog No: AG002VAT MDL No:
Product Description
Catalog Number:
AG002VAT
Chemical Name:
Naphthalenesulfonic acid, 1-hydroxy- (8CI,9CI)
CAS Number:
29036-17-7
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
IUPAC Name:
1-hydroxy-2H-naphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H10O4S/c11-10(15(12,13)14)7-3-5-8-4-1-2-6-9(8)10/h1-6,11H,7H2,(H,12,13,14)
InChI Key:
HGVJHAMFCVPSRK-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)C1(O)CC=Cc2c1cccc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.246g/mol
Monoisotopic Mass:
226.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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