AG01A87C

58231-00-8 | 3-Cyanothiophene-2-carboxylic acid

AG01A87C

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CAS Number	58231-00-8
Catalog Number	AG01A87C(AGN-PC-00H0UE)
Chemical Name	3-Cyanothiophene-2-carboxylic acid
IUPAC Name	3-cyanothiophene-2-carboxylic acid
InChI	InChI=1S/C6H3NO2S/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,(H,8,9)
InChI Key	AHKYFPXBUQSQAK-UHFFFAOYSA-N
MDL Number	MFCD01859848
Molecular Formula	C6H3NO2S
Molecular Weight	153.1585
SMILES	O=C(C1=C(C#N)C=CS1)O
Synonyms	3-cyanothiophene-2-carboxylic Acid, 58231-00-8, 3-cyano-thiophene-2-carboxylic acid, AC1Q725I, SCHEMBL4949422, CTK1G9268, DTXSID30473985, AHKYFPXBUQSQAK-UHFFFAOYSA-N, 2-Thiophenecarboxylicacid, 3-cyano-, MFCD01859848, ZINC36466256, AKOS005260322, AB09996, MCULE-3286381369, NE32803, FT-0742887, EN300-60920, Z1171978858, CID11829652,

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	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

Lot Number