AG001L91

14884-01-6 | 1H-Pyrazole, 4-methoxy-

AG001L91

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CAS Number	14884-01-6
Catalog Number	AG001L91(AGN-PC-0LQ1IW)
Chemical Name	1H-Pyrazole, 4-methoxy-
IUPAC Name	4-methoxy-1H-pyrazole
InChI	InChI=1S/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChI Key	NCFMDIJKEYGCRD-UHFFFAOYSA-N
MDL Number	MFCD22394063
Molecular Formula	C4H6N2O
Molecular Weight	98.1032
SMILES	COC=1C=NNC1
Synonyms	4-methoxy-1H-pyrazole, 14884-01-6, 1H-Pyrazole, 4-methoxy-, 4-methoxypyrazole, 4-methoxy-pyrazole, 4-Methoyx-1H-Pyrazole, AC1NT5ME, CTK0E8820, DTXSID50415948, NCFMDIJKEYGCRD-UHFFFAOYSA-N, MFCD22394063, ZINC13547525, AKOS024124157, KS-0000089Y, AK200730, SC-92038, CS-0050823, FT-0743226, A1-08556, InChI=1/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6, CID5324776,

Complexity	57.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.048g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	98.105g/mol
Monoisotopic Mass	98.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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