AG005YCH

957500-07-1 | 3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid

AG005YCH

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CAS Number	957500-07-1
Catalog Number	AG005YCH(AGN-PC-0WAK1A)
Chemical Name	3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC Name	5-cyclopropyl-2-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C8H10N2O2/c1-10-7(8(11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChI Key	WAVQQDWWBUEGMB-UHFFFAOYSA-N
MDL Number	MFCD07186420
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	O=C(C1=CC(C2CC2)=NN1C)O
Synonyms	957500-07-1, 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, 5-Cyclopropyl-2-methyl-2H-pyrazole-3-carboxylic acid, 5-cyclopropyl-2-methylpyrazole-3-carboxylic acid, 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid, AC1MKMHM, BAS 10150567, SCHEMBL2215374, CTK5H8159, DTXSID20390218, WAVQQDWWBUEGMB-UHFFFAOYSA-N, HMS1697A08, ALBB-031407, ZINC4384349, 4449AF, FCH834163, MFCD07186420, SBB073766, STL301112, AKOS000505660, MCULE-7535050423, RTR-038577, AS-36558, ST086036, AX8248313, DB-080344, TR-038577, BB 0254494, FT-0677720, EN300-149183, I04-4348, 3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR, C8H10N2O2, CID3159656,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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