AG001BO2

139755-99-0 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-

AG001BO2

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CAS Number	139755-99-0
Catalog Number	AG001BO2(AGN-PC-0D419Z)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
IUPAC Name	2-methyl-5-propylpyrazole-3-carboxylic acid
InChI	InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key	KOABFSONXOOIIH-UHFFFAOYSA-N
MDL Number	MFCD02169703
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CCCC1=NN(C)C(=C1)C(O)=O
Synonyms	1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, 139755-99-0, 1-methyl-3-propylpyrazole-5-carboxylic acid, 2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid, 2-methyl-5-propylpyrazole-3-carboxylic acid, 1-Methyl-3-propyl-5-pyrazole carboxylic acid, KOABFSONXOOIIH-UHFFFAOYSA-N, 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, AK-54966, 1H-Pyrazole-5-carboxylicacid, 1-methyl-3-propyl-, J-504931, MFCD02169703, AC1LBRLB, BAS 02107705, ACMC-1C0QT, ChemDiv2_002308, SCHEMBL727, AC1Q2V2A, Jsp002374, CTK0I2837, ZINC39727, DTXSID10343157, HMS1375I20, BB_SC-10407, BCP18688, ZX-CM015045, AN-105, ANW-64041, BBL029602, FCH835766, STK662684, AKOS000300177, GL-0480, MCULE-6916862683, MS-2208, RP23097, RTC-072149, VP20032, AC-26376, AJ-08896, AM807207, CC-04744, EN000301, ST079787, AX8018252, DB-032328, TC-072149, 4CH-023990, EU-0085829, FT-0643314, ST24038103, Z2317, 2-methyl-5-propyl-pyrazole-3-carboxylic acid, 1-Methyl-3-n-propylpyrazole-5-carboxylic acid, W-9153, Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, 1-Methyl-3-propyl-1H-5-pyrazole carboxylic acid, 755M990, C-05040, SR-01000530147, 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid #, SR-01000530147-1, I14-12871, 1-methyl-3-propylpyrazole-5-carboxylic acid, AldrichCPR, 4402460-25G, A2285/0096224, C8H12N2O2, CID587797, 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl- (9CI), 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, 98% - 1G 1g,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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