AG000TDP

1268683-45-9 | 5-(hydroxymethyl)thiophene-3-boronic acid

AG000TDP

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CAS Number	1268683-45-9
Catalog Number	AG000TDP(AGN-PC-0CCCMG)
Chemical Name	5-(hydroxymethyl)thiophene-3-boronic acid
IUPAC Name	[5-(hydroxymethyl)thiophen-3-yl]boronic acid
InChI	InChI=1S/C5H7BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7-9H,2H2
InChI Key	KSCBULRYCWLXQG-UHFFFAOYSA-N
MDL Number	MFCD27665427
Molecular Formula	C5H7BO3S
Molecular Weight	157.9833
SMILES	OCC1=CC(B(O)O)=CS1
Synonyms	(5-(Hydroxymethyl)thiophen-3-yl)boronic acid, 1268683-45-9, [5-(hydroxymethyl)thiophen-3-yl]boronic acid, 5-(Hydroxymethyl)thiophene-3-boronic Acid, AK145321, SCHEMBL9303, KSCBULRYCWLXQG-UHFFFAOYSA-N, KS-00000S2V, 4769AJ, MFCD21363061, AKOS022178289, ZINC170023684, DS-8086, FCH2492944, 2-hydroxymethyl-4-thiopheneboronic acid, 5-Hydroxymethyl-thiophene-3-boronic acid, SY033254, AX8283385, CS-0029511, FT-0709335, MFCD27665427 (95%), (5-(HYDROXYMETHYL)THIOPHEN-3-YL)BORONICACID, C5H7BO3S, ACN-046552, B-[5-(hydroxymethyl)-3-thienyl]Boronic acid, Boronic acid, B-[5-(hydroxymethyl)-3-thienyl]-,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.021g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	157.978g/mol
Monoisotopic Mass	158.021g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number