AG00HCE8

1125-29-7 | 1H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl-

AG00HCE8

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CAS Number	1125-29-7
Catalog Number	AG00HCE8(AGN-PC-0JVOEM)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl-
IUPAC Name	1,3,5-trimethylpyrazole-4-carboxylic acid
InChI	InChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)
InChI Key	NOIOGQJFLIPRBI-UHFFFAOYSA-N
MDL Number	MFCD00159648
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	C(=O)(O)c1c(C)n(nc1C)C
Synonyms	1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid, 1125-29-7, 1,3,5-trimethylpyrazole-4-carboxylic acid, trimethyl-1H-pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl-, 1,3,5-trimethyl-4-pyrazolecarboxylic acid, SDCCGMLS-0064499.P001, akos pao-0337, AC1LEIAP, rarechem al be 0403, akos b006363, art-chem-bb b006363, AC1Q5TI6, Cambridge id 5264152, AC1Q407A, SCHEMBL1335845, CTK0H3462, KS-00001ACY, DTXSID60353049, NOIOGQJFLIPRBI-UHFFFAOYSA-N, ZINC158801, trimethylpyrazole-4-carboxylic acid, ALBB-000004, ANW-63036, BBL013087, MFCD00159648, SBB020155, STK315873, AKOS000263895, AC-7734, AN-8673, CS-W013289, MCULE-5452966279, QC-1389, RP01837, TRA0010155, AJ-15353, AK-95845, SC-46137, AB0004418, DB-050574, ST2408439, TR-002444, 4CH-016360, AM20080076, BB 0219207, FT-0606518, ST45161441, Y7075, EN300-25595, VU0404127-2, 1,3,5-trimethyl-1h-pyrazol-4-carboxylic acid, W-6568, 125T297, 1H-Pyrazole-4-carboxylicacid, 1,3,5-trimethyl-, 2R-0605, A802594, I11-0430, 1,3,5-trimethyl-1h-pyrazole-4-carboxylic acid, 95+%, F2169-0533, Z217102738, 1,3,5-trimethyl-1h-pyrazole-4-carboxylic acid(saltdata: free), C7H10N2O2, KST-1A9858, AR-1B6322, CID736514, 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid, 95% - 1G 1g, 1127-60-2,

Complexity	172
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	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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