AG00FE98

71925-11-6 | 1-ethyl-1H-imidazole-5-carboxylic acid

AG00FE98

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CAS Number	71925-11-6
Catalog Number	AG00FE98(AGN-PC-00141A)
Chemical Name	1-ethyl-1H-imidazole-5-carboxylic acid
IUPAC Name	3-ethylimidazole-4-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-2-8-4-7-3-5(8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key	QXDVIFCTZBKLMY-UHFFFAOYSA-N
MDL Number	MFCD08445747
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(C1=CN=CN1CC)O
Synonyms	1-Ethyl-1H-imidazole-5-carboxylic acid, 71925-11-6, 1-Ethylimidazole-5-carboxylic Acid, SCHEMBL9819383, KS-00000QYQ, DTXSID50559159, 1164AC, MFCD08445747, ZINC13483637, AKOS000506125, CS-W019208, DS-5386, 3-Ethyl-3H-imidazole-4-carboxylic acid, AJ-63935, AK118722, SY026699, ST2408764, 4CH-016269, BB 0219952, MFCD08445747 (95%), C6H8N2O2, 1H-Imidazole-5-carboxylic acid, 1-ethyl-,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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