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1000-56-2 | Sulfuric acid, monopropyl ester, sodium salt (1:1)
CAS No: 1000-56-2 Catalog No: AG00008L MDL No:
Product Description
Catalog Number:
AG00008L
Chemical Name:
Sulfuric acid, monopropyl ester, sodium salt (1:1)
CAS Number:
1000-56-2
Molecular Formula:
C3H7NaO4S
Molecular Weight:
162.1400
IUPAC Name:
sodium;propyl sulfate
InChI:
InChI=1S/C3H8O4S.Na/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChI Key:
CEHCOJSZSZWUIG-UHFFFAOYSA-M
SMILES:
CCCOS(=O)(=O)[O-].[Na+]
EC Number:
213-671-1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.996g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.135g/mol
Monoisotopic Mass:
161.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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