Sodium propyl sulfate

CAT: 0127-OR1057905-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1057905-01Size:100 mg

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CAS Number

1000-56-2

MDL Number

MFCD07783407

Purity

97%

Smiles

O=S(OCCC)([O-])=O.[Na+]

Chemical Information

Sulfuric acid, monopropyl ester, sodium salt (1:1)

CAS Number	1000-56-2
PubChem CID	23677965
IUPAC Name	sodium propyl sulfate
Molecular Formula	C3H7NaO4S
Molecular Weight	162.14
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	134

SMILES

CCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C3H8O4S.Na/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1

InChIKey

CEHCOJSZSZWUIG-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1000-56-2

CID: 23677965

Formula: C3H7NaO4S

MW: 162.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	161.99627416
Monoisotopic Mass	161.99627416
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
P838355	Propyl Paraben Sulfate Sodium Salt
166044	Propyl Paraben Sulfate
RG-P181548-01	Propyl Hydrogen Sulfate
166045	Propyl Paraben Sulfate-d7
TRC-S673620-10G	Sodium Sulfate
715001	OCTYL SULFATE SODIUM SALT (SODIUM OCTYL SULFATE)