Sodium oxolane-3-sulfinate

CAT: 0926-XPC01359-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-XPC01359-01Size:250 mg

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CAS Number

1622013-59-5

MDL Number

MFCD28124335

Smiles

C1CC (OC1) S (=O) [O-].[Na+]

Molecular Formula

C4H7NaO3S

Molecular Weight

158.15 g/mol

Controlled

Chemical Information

Sodium oxolane-3-sulfinate

CAS Number	1622013-59-5
PubChem CID	102338384
IUPAC Name	sodium oxolane-3-sulfinate
Molecular Formula	C4H7NaO3S
Molecular Weight	158.15
Topological Polar Surface Area	68.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	108

SMILES

C1COCC1S(=O)[O-].[Na+]

InChI

InChI=1S/C4H8O3S.Na/c5-8(6)4-1-2-7-3-4;/h4H,1-3H2,(H,5,6);/q;+1/p-1

InChIKey

IHAPRSZBTHYXPY-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1622013-59-5

CID: 102338384

Formula: C4H7NaO3S

MW: 158.15

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	158.15
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	158.00135954
Monoisotopic Mass	158.00135954
Topological Polar Surface Area	68.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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