AG001BO1

139756-00-6 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-propyl-

AG001BO1

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CAS Number	139756-00-6
Catalog Number	AG001BO1(AGN-PC-0BWX1V)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-propyl-
IUPAC Name	2-methyl-4-nitro-5-propylpyrazole-3-carboxylic acid
InChI	InChI=1S/C8H11N3O4/c1-3-4-5-6(11(14)15)7(8(12)13)10(2)9-5/h3-4H2,1-2H3,(H,12,13)
InChI Key	GFORSNBMYCLGIE-UHFFFAOYSA-N
MDL Number	MFCD02110857
Molecular Formula	C8H11N3O4
Molecular Weight	213.1906
SMILES	O=C(C1=C([N+]([O-])=O)C(CCC)=NN1C)O
Synonyms	139756-00-6, 1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-propyl-, 1-Methyl-2-nitro-3-propyl-1H-pyrazole-5-carboxylic acid, 1H-Pyrazole-5-carboxylicacid, 1-methyl-4-nitro-3-propyl-, GFORSNBMYCLGIE-UHFFFAOYSA-N, AC1MBPF5, ACMC-1BX7R, SCHEMBL1115, Oprea1_507899, 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxylic Acid, PYR245, CTK0H4137, DTXSID00373029, ZINC168938, 1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLICACID, BCP18689, ANW-61166, MFCD02110857, AKOS004909106, AM97558, GL-0485, MCULE-1923434633, AC-27028, AJ-17023, AK-59081, AN-31743, AS-19964, CC-04760, AX8059510, DB-042485, RT-018275, FT-0643315, Z2313, 756M006, C-11228, SR-01000448247, J-007312, J-803031, SR-01000448247-1, 1-Methyl-4-nitro-3-propylpyrazole-5-carboxylic Acid, 2-methyl-4-nitro-5-propylpyrazole-3-carboxylic acid, I14-39957, 1-Methyl-4-nitro-3-propyl-1H-5-pyrazole carboxylic acid, 2-Methyl-4-nitro-5-propyl-2H-pyrazole-3-carboxylic acid, Sildenafil Impurity ((1-methyl-4-Nitro -3-n-propyl pyrazole-5- carboxylic acid), Levonorgestrel, C8H11N3O4, CID2754500,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.075g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.193g/mol
Monoisotopic Mass	213.075g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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