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20680-48-2 | 1-Naphthalenesulfonic acid, 3-diazo-3,4-dihydro-4-oxo-
CAS No: 20680-48-2 Catalog No: AG002IOP MDL No:
Product Description
Catalog Number:
AG002IOP
Chemical Name:
1-Naphthalenesulfonic acid, 3-diazo-3,4-dihydro-4-oxo-
CAS Number:
20680-48-2
Molecular Formula:
C10H6N2O4S
Molecular Weight:
250.2306
IUPAC Name:
2-diazonio-4-sulfonaphthalen-1-olate
InChI:
InChI=1S/C10H6N2O4S/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13/h1-5H,(H-,13,14,15,16)
InChI Key:
TUXAJHDLJHMOQB-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=C(c2c(C1=O)cccc2)S(=O)(=O)O
EC Number:
243-965-5
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.228g/mol
Monoisotopic Mass:
250.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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