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88429-09-8 | 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, octyl ester
CAS No: 88429-09-8 Catalog No: AG004HN8 MDL No:
Product Description
Catalog Number:
AG004HN8
Chemical Name:
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, octyl ester
CAS Number:
88429-09-8
Molecular Formula:
C18H22N2O4S
Molecular Weight:
362.4433
IUPAC Name:
2-diazonio-5-octoxysulfonylnaphthalen-1-olate
InChI:
InChI=1S/C18H22N2O4S/c1-2-3-4-5-6-7-13-24-25(22,23)17-10-8-9-15-14(17)11-12-16(20-19)18(15)21/h8-12H,2-7,13H2,1H3
InChI Key:
WMQIKWFTYPUTSG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOS(=O)(=O)c1cccc2c1C=CC(=[N+]=[N-])C2=O
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.13g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.444g/mol
Monoisotopic Mass:
362.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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