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89729-25-9

89729-25-9 | Acetamide, N-[5-(sulfooxy)-1-naphthalenyl]-

CAS No: 89729-25-9 Catalog No: AG0041ZO MDL No:

Product Description

Catalog Number:
AG0041ZO
Chemical Name:
Acetamide, N-[5-(sulfooxy)-1-naphthalenyl]-
CAS Number:
89729-25-9
Molecular Formula:
C12H11NO5S
Molecular Weight:
281.2844
IUPAC Name:
(5-acetamidonaphthalen-1-yl) hydrogen sulfate
InChI:
InChI=1S/C12H11NO5S/c1-8(14)13-11-6-2-5-10-9(11)4-3-7-12(10)18-19(15,16)17/h2-7H,1H3,(H,13,14)(H,15,16,17)
InChI Key:
RYGJHJLYTTXZAR-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc2c1cccc2OS(=O)(=O)O

Properties

Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.036g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.282g/mol
Monoisotopic Mass:
281.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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