AG003EBI

400858-54-0 | 1-Ethyl-1H-pyrazole-4-carboxylic acid

AG003EBI

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CAS Number	400858-54-0
Catalog Number	AG003EBI(AGN-PC-0JWPSD)
Chemical Name	1-Ethyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	1-ethylpyrazole-4-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key	BXXOXFNLGLMZSO-UHFFFAOYSA-N
MDL Number	MFCD02090883
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(C1=CN(CC)N=C1)O
Synonyms	1-Ethyl-1H-pyrazole-4-carboxylic acid, 400858-54-0, 1-ethylpyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 1-ethyl-, BAS 13503497, ACMC-209jas, AC1LH4V4, SCHEMBL553834, CTK1D0093, DTXSID50356766, BXXOXFNLGLMZSO-UHFFFAOYSA-N, HMS1618B13, ZINC356346, ALBB-000148, KS-00000I4A, 5317AB, ANW-29282, BBL015059, MFCD02090883, SBB006977, STK299905, AKOS000304102, MCULE-8656819052, RTR-015998, SB22923, TRA0053794, 1-ethyl-1 h-pyrazole-4-carboxylic acid, AJ-20119, AK-83434, BAS 03395082, DS-17215, SY014178, AB0048754, AB1008781, DB-032065, ST2403422, AM20100062, CS-0054997, FT-0734022, ST45161622, 1H-Pyrazole-4-carboxylicacid,1-ethyl-(9CI), EN300-77507, K-8574, MFCD02090883 (97+%), 1-Ethyl-1H-pyrazole-4-carboxylic acid, AldrichCPR, Z275170094, null, C6H8N2O2, CID832221,

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	0.1

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

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