AG00GVDP

916766-97-7 | 2-Thien-2-ylpyrimidine-5-carboxylic acid

AG00GVDP

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CAS Number	916766-97-7
Catalog Number	AG00GVDP(AGN-PC-0WB5J8)
Chemical Name	2-Thien-2-ylpyrimidine-5-carboxylic acid
IUPAC Name	2-thiophen-2-ylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C9H6N2O2S/c12-9(13)6-4-10-8(11-5-6)7-2-1-3-14-7/h1-5H,(H,12,13)
InChI Key	SJJLOOUOVNRKLF-UHFFFAOYSA-N
MDL Number	MFCD09817551
Molecular Formula	C9H6N2O2S
Molecular Weight	206.2211
SMILES	O=C(C1=CN=C(C2=CC=CS2)N=C1)O
Synonyms	916766-97-7, 2-Thien-2-ylpyrimidine-5-carboxylic acid, 2-(thiophen-2-yl)pyrimidine-5-carboxylic acid, 2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID, 2-(2-thienyl)-5-pyrimidinecarboxylic acid, 2-Thien-2-ylpyrimidine-5-carboxylic acid 97%, CTK5H0310, DTXSID70640432, MFCD09817551, SBB093657, ZINC12370787, AKOS000284181, AJ-61870, AS-39008, 2-(2-thienyl)pyrimidine-5-carboxylic acid, DB-079132, RT-008008, 2-(Thien-2-yl)pyrimidine-5-carboxylic acid, FT-0753486, Y-5572, 2-thien-2-ylpyrimidine-5-carboxylic acid, AldrichCPR,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.219g/mol
Monoisotopic Mass	206.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	91.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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