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1000-67-5,MFCD00024891
Catalog No.:AA00005O
1000-67-5 | Sulfuric acid, monobutyl ester, sodium salt (1:1)
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100mg
3 weeks  
$220.00
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500mg
3 weeks  
$650.00
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1g
3 weeks  
$1,060.00
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Technical Information
Catalog Number:
AA00005O
Chemical Name:
Sulfuric acid, monobutyl ester, sodium salt (1:1)
CAS Number:
1000-67-5
Molecular Formula:
C4H9NaO4S
Molecular Weight:
176.1666
MDL Number:
MFCD00024891
IUPAC Name:
sodium;butyl sulfate
InChI:
InChI=1S/C4H10O4S.Na/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
InChI Key:
NGDIAZZSCVVCEW-UHFFFAOYSA-M
SMILES:
CCCCOS(=O)(=O)[O-].[Na+]
EC Number:
213-672-7
Properties
Computed Properties
 
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.012g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.162g/mol
Monoisotopic Mass:
176.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
sodium butyl sulfate 
1000-67-5 
DTXSID5061378 
CTK3J8486 
AKOS024334821 
FT-0633224 
Sulfuric acid,monobutyl ester, sodium salt (1:1) 
C4H10O4S.Na 
C4-H10-O4-S.Na 
CID70470 
AR-1L5047 
10045-95-1 
Sodium n-butyl sulphate 
Sulfuric acid, monobutyl ester, sodium salt 
Sulfuric acid, monobutyl ester, sodium salt (1:1) 
Sodium butyl sulphate 
EINECS 213-672-7 
Butyl=sodium sulfate 
AC1Q1VL5 
SCHEMBL302087 
Literature
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