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2641-00-1 | 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 3,5-dihydroxyphenyl ester
CAS No: 2641-00-1 Catalog No: AG002T3R MDL No:
Product Description
Catalog Number:
AG002T3R
Chemical Name:
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 3,5-dihydroxyphenyl ester
CAS Number:
2641-00-1
Molecular Formula:
C16H10N2O6S
Molecular Weight:
358.3254
IUPAC Name:
2-diazonio-5-(3,5-dihydroxyphenoxy)sulfonylnaphthalen-1-olate
InChI:
InChI=1S/C16H10N2O6S/c17-18-14-5-4-12-13(16(14)21)2-1-3-15(12)25(22,23)24-11-7-9(19)6-10(20)8-11/h1-8H,(H2-,19,20,21)
InChI Key:
LHJUWHXGYVLIDN-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C=CC1=[N+]=[N-])S(=O)(=O)Oc1cc(O)cc(c1)O
EC Number:
220-139-2
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.026g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.324g/mol
Monoisotopic Mass:
358.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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