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1000-67-5 | Sulfuric acid, monobutyl ester, sodium salt (1:1)
CAS No: 1000-67-5 Catalog No: AG00008G MDL No:MFCD00024891
Product Description
Catalog Number:
AG00008G
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
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
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