AG008SH0

111573-59-2 | 3-(Dimethoxymethyl)-1H-pyrazole

AG008SH0

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CAS Number	111573-59-2
Catalog Number	AG008SH0(AGN-PC-0NXOZK)
Chemical Name	3-(Dimethoxymethyl)-1H-pyrazole
IUPAC Name	5-(dimethoxymethyl)-1H-pyrazole
InChI	InChI=1S/C6H10N2O2/c1-9-6(10-2)5-3-4-7-8-5/h3-4,6H,1-2H3,(H,7,8)
InChI Key	ZAZJHNVEFWBJFV-UHFFFAOYSA-N
MDL Number	MFCD00085025
Molecular Formula	C6H10N2O2
Molecular Weight	142.1558
SMILES	COC(C1=NNC=C1)OC
Synonyms	3-(Dimethoxymethyl)-1H-pyrazole, 111573-59-2, 5-(dimethoxymethyl)-1H-pyrazole, 1H-Pyrazole,3-(dimethoxymethyl)-, 955892-12-3, Pyrazole-3-carboxaldehyde dimethyl acetal, ACMC-20meh9, AC1MD1O5, AC1Q44IC, dimethoxypyrazol-3-ylmethane, SCHEMBL950513, 3-Dimethoxymethyl-1H-pyrazole, SCHEMBL16815368, CTK4A7422, CTK6J3260, KS-00000NBE, ZAZJHNVEFWBJFV-UHFFFAOYSA-N, 1H-Pyrazole, 3-(dimethoxymethyl)-, 8808AC, BBL103897, MFCD00085025, SBB086232, STL557707, ZINC12505530, AKOS001355898, AKOS015908781, ACN-000307, MCULE-5532093336, PS-4495, 1H-pyrazol-3-carbaldehyde dimethyl acetal, AJ-62533, AK135222, AJ-138322, CS-0061890, FT-0613761, EN300-27460, F10145, K-0928, I14-34931, Z240127598, C6H10N2O2, ZINC00163193, CID2782146,

Complexity	95.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.074g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.158g/mol
Monoisotopic Mass	142.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.1A^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-P305+P351+P338
UN Code

Certificate of Analysis

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