AG003RKE

15366-34-4 | METHYL 1H-PYRAZOLE-3-CARBOXYLATE

AG003RKE

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CAS Number	15366-34-4
Catalog Number	AG003RKE(AGN-PC-0O4DKS)
Chemical Name	METHYL 1H-PYRAZOLE-3-CARBOXYLATE
IUPAC Name	methyl 1H-pyrazole-5-carboxylate
InChI	InChI=1S/C5H6N2O2/c1-9-5(8)4-2-3-6-7-4/h2-3H,1H3,(H,6,7)
InChI Key	ORUCTBNNYKZMSK-UHFFFAOYSA-N
MDL Number	MFCD00649381
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	N1N=C(C=C1)C(=O)OC
Synonyms	Methyl 1H-pyrazole-3-carboxylate, 15366-34-4, methyl 1h-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylic acid methyl ester, methyl pyrazole-3-carboxylate, 2H-Pyrazole-3-carboxylic acid methyl ester, 3-Methoxycarbonylpyrazole, 394658-31-2, ORUCTBNNYKZMSK-UHFFFAOYSA-N, MFCD00649381, pyrazole-3-carboxylic acid methyl ester, 1H-Pyrazole-3-carboxylic acid, methyl ester, ZERO/001713, AC1LBWSU, PubChem14332, 5-methoxycarbonylpyrazole, AC1Q5ZC4, methyl 3-pyrazolecarboxylate, methylpyrazole-3-carboxylate, KSC493A2J, SCHEMBL560682, CTK3J3024, CTK6J0901, KS-00000BJS, methyl 1H-pyrazol-5-carboxylate, DTXSID10340565, BH803, ACN-S004292, ALBB-003661, BCP26620, Methyl 1H-pyrazole-3-carboxylate #, ANW-52130, BBL004242, FC0939, GEO-01919, MFCD04967319, SBB000006, STK257454, ZINC32445539, AKOS000305749, AKOS000321526, 4-Pyrazolecarboxylic Acid Methyl Ester, AC-8946, BCP9000067, CM-1626, CS-W008807, EBD2197690, MCULE-7995555155, PB10159, RP00800, RTR-006369, TRA0045675, METHYL 2H-PYRAZOLE-3-CARBOXYLATE, NCGC00330701-01, AC-23119, AJ-85302, AK-31981, BC224095, BR-31981, CJ-17954, SC-26412, ST058707, SY013591, TS-01651, 1H-Pyrazole-3-carboxyic acid methyl ester, 1H-Pyrazole-5-carboxylic acid methyl ester, AB0022475, AB1007603, DB-005734, ST2413225, TR-006369, 4CH-003651, AM20080390, BB 0237312, BB 0258847, FT-0080849, FT-0647809, M2444, W3347, Methyl 1H-pyrazole-3-carboxylate, AldrichCPR, MFCD00649381 (97%), H57052, S-1693, AB01325199-02, 366P344, I11-0288, W-200132, I14-11392, F0912-0219, Z847467392, null, 3-carboxylate, methyl 1H-pyrazole-, C5H6N2O2, AR-1J4339, CID565662, RW1369, RW1530, 1H-Pyrazole-3-carboxylicacidmethylester, 15420-02-7,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

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