AG00EE6G

59786-39-9 | 5-Cyanothiophene-2-carboxylic acid

AG00EE6G

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CAS Number	59786-39-9
Catalog Number	AG00EE6G(AGN-PC-0LTA8X)
Chemical Name	5-Cyanothiophene-2-carboxylic acid
IUPAC Name	5-cyanothiophene-2-carboxylic acid
InChI	InChI=1S/C6H3NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,(H,8,9)
InChI Key	KAPWVQLXFIZKGS-UHFFFAOYSA-N
MDL Number	MFCD12027190
Molecular Formula	C6H3NO2S
Molecular Weight	153.1585
SMILES	O=C(C1=CC=C(C#N)S1)O
Synonyms	5-cyanothiophene-2-carboxylic acid, 59786-39-9, KAPWVQLXFIZKGS-UHFFFAOYSA-N, 2-Thiophenecarboxylic acid, 5-cyano-, Thiophene-2-carboxylic acid, 5-cyano-, AC1O4WW3, SCHEMBL3960184, CTK5B0503, DTXSID60423579, ALBB-006446, 5-Cyano-thiophene-2-carboxylic acid, 6438AE, MFCD12027190, STK503925, ZINC15827492, AKOS000266613, 5-?Cyanothiophene-?2-?carboxylic acid, MCULE-2740168777, AJ-67926, BS-13340, SC-84461, TR-037220, BB 0252802, FT-0679220, Z-0660, I04-3620, Z1723549340, C6H3NO2S, CID6420583,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.988g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.155g/mol
Monoisotopic Mass	152.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	89.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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