AG003426

26978-64-3 | 4-Hydroxy-1-Butanesulfonic Acid

AG003426

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CAS Number	26978-64-3
Catalog Number	AG003426(AGN-PC-0JM1V9)
Chemical Name	4-Hydroxy-1-Butanesulfonic Acid
IUPAC Name	4-hydroxybutane-1-sulfonic acid
InChI	InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)
InChI Key	YEGPVWSPNYPPIK-UHFFFAOYSA-N
MDL Number	MFCD28130072
Molecular Formula	C4H10O4S
Molecular Weight	154.1848
NSC Number	71873
SMILES	OCCCCS(=O)(=O)O
UNII	87G94EI36D
Synonyms	26978-64-3, 4-Hydroxy-1-butanesulfonic acid, 4-hydroxybutane-1-sulfonic acid, 1-Butanesulfonic acid, 4-hydroxy-, UNII-87G94EI36D, NSC 163335, 87G94EI36D, NSC71873, NSC 71873, 4-hydroxy-butane-1-sulfonic acid, NSC163335, Busulfan Impurity 3, AC1L3WCT, SCHEMBL51852, 4-hydroxy butane sulfonic acid, CHEMBL1205974, DTXSID4067272, CTK8H9328, 1-Butanesulfonic acid,4-hydroxy-, ZINC1697301, MFCD28130072, NSC-71873, AKOS027327341, AK323742, AS-47057, SC-53329, SY226260, FT-0738796, MFCD28130072 (95%), C4-H10-O4-S, CID96391,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.03g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.18g/mol
Monoisotopic Mass	154.03g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number