AG0037RF

50920-46-2 | 1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid

AG0037RF

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CAS Number	50920-46-2
Catalog Number	AG0037RF(AGN-PC-00YHZ4)
Chemical Name	1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	1-ethyl-5-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C7H10N2O2/c1-3-9-5(2)4-6(8-9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChI Key	DMGJEACTEOFQPI-UHFFFAOYSA-N
MDL Number	MFCD08445953
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	O=C(C1=NN(CC)C(C)=C1)O
Synonyms	1-ethyl-5-methyl-1H-pyrazole-3-carboxylic acid, 50920-46-2, 1-ethyl-5-methylpyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 1-ethyl-5-methyl-, SCHEMBL2360638, CTK4J3385, KS-00000IZI, DTXSID10585893, DMGJEACTEOFQPI-UHFFFAOYSA-N, ALBB-029062, ZINC8733281, 4545AE, BBL031015, MFCD08445953, SBB024781, STK346770, AKOS000301681, FS-2077, MCULE-7193159809, AK174126, SY038490, TR-036924, CS-0041556, FT-0678801, ST45127918, EN300-92763, MFCD08445953 (95%), K-9403, I04-3997, C7H10N2O2,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number