AG0034VM

61453-48-3 | Ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate

AG0034VM

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CAS Number	61453-48-3
Catalog Number	AG0034VM(AGN-PC-0NI43I)
Chemical Name	Ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate
IUPAC Name	ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C7H10N2O3/c1-2-12-7(11)6-3-5(4-10)8-9-6/h3,10H,2,4H2,1H3,(H,8,9)
InChI Key	NRCLMYRLGIMSIX-UHFFFAOYSA-N
MDL Number	MFCD16620142
Molecular Formula	C7H10N2O3
Molecular Weight	170.1659
SMILES	OCC1=CC(=NN1)C(=O)OCC
Synonyms	61453-48-3, ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate, Ethyl 5-(Hydroxymethyl)pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-(hydroxymethyl)-, ethyl ester, Ethyl 3-(hydroxymethyl)-1H-pyrazole-5-carboxylate, SCHEMBL1456739, CTK2D9641, DTXSID40480807, NRCLMYRLGIMSIX-UHFFFAOYSA-N, CS-D0418, MFCD16620142, ZINC38890064, AKOS025149736, AKOS030627958, TRA0170328, AK174125, CS-11874, SC-90293, SY032113, AX8267373, Ethyl5-(Hydroxymethyl)pyrazole-3-carboxylate, FT-0769219, KS-00000932, MFCD16620142 (95%), 5-Hydroxymethyl-2H-pyrazole-3-carboxylic acid ethyl ester, 3-(Hydroxymethyl)-1H-pyrazole-5-carboxylic acid ethyl ester, 5-(Hydroxymethyl)-1H-pyrazole-3-carboxylic acid ethyl ester,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.168g/mol
Monoisotopic Mass	170.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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