3-(2-carboxyethanesulfinyl)propanoic acid

3-(2-carboxyethanesulfinyl)propanoic acid

CAS: 650354

Formula: C6H10O5S

SMILES: OC(=O)CCS(=O)CCC(O)=O

IUPAC: 3-(2-carboxyethanesulfinyl)propanoic acid

InChI: InChI=1S/C6H10O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Composition: C (37.11%), H (5.19%), O (41.19%), S (16.51%)

Molar Mass: 194.2

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	194.024894596
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	UXDHDPFGSDSRPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.24
Topological Polar Surface Area	91.67
Polarizability	16.67
Ring Count	0
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
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