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18981-98-1

18981-98-1 | Sulfuric acid, monoheptyl ester, sodium salt (1:1)

CAS No: 18981-98-1 Catalog No: AG002E01 MDL No:

Product Description

Catalog Number:
AG002E01
Chemical Name:
Sulfuric acid, monoheptyl ester, sodium salt (1:1)
CAS Number:
18981-98-1
Molecular Formula:
C7H15NaO4S
Molecular Weight:
218.2464
IUPAC Name:
sodium;heptyl sulfate
InChI:
InChI=1S/C7H16O4S.Na/c1-2-3-4-5-6-7-11-12(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1
InChI Key:
GRNNMEITWDFPOL-UHFFFAOYSA-M
SMILES:
CCCCCCCOS(=O)(=O)[O-].[Na+]

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.243g/mol
Monoisotopic Mass:
218.059g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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