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113449-74-4 | 1(2H)-Naphthalenone, 2-diazo-5-(sulfooxy)-
CAS No: 113449-74-4 Catalog No: AG0008MP MDL No:
Product Description
Catalog Number:
AG0008MP
Chemical Name:
1(2H)-Naphthalenone, 2-diazo-5-(sulfooxy)-
CAS Number:
113449-74-4
Molecular Formula:
C10H6N2O5S
Molecular Weight:
266.2300
IUPAC Name:
2-diazonio-5-sulfooxynaphthalen-1-olate
InChI:
InChI=1S/C10H6N2O5S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17-18(14,15)16/h1-5H,(H-,13,14,15,16)
InChI Key:
DTJXFDOCHKCQLJ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=Cc2c(C1=O)cccc2OS(=O)(=O)O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.227g/mol
Monoisotopic Mass:
266g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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