AG007L2Q

2820-38-4 | 3,5-DIMETHYL-4-HYDROXYPYRAZOLE

AG007L2Q

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CAS Number	2820-38-4
Catalog Number	AG007L2Q(AGN-PC-0KXDSV)
Chemical Name	3,5-DIMETHYL-4-HYDROXYPYRAZOLE
IUPAC Name	3,5-dimethyl-1H-pyrazol-4-ol
InChI	InChI=1S/C5H8N2O/c1-3-5(8)4(2)7-6-3/h8H,1-2H3,(H,6,7)
InChI Key	CTXUDADWQSSNSC-UHFFFAOYSA-N
MDL Number	MFCD00030421
Molecular Formula	C5H8N2O
Molecular Weight	112.1298
SMILES	OC1=C(C)NN=C1C
Synonyms	3,5-dimethyl-1H-pyrazol-4-ol, 2820-38-4, 3,5-DIMETHYL-4-HYDROXYPYRAZOLE, 4-hydroxy-3,5-dimethylpyrazole, AC1MU84Z, AC1Q2Q4P, SCHEMBL18096494, CTK4G1009, DTXSID90394268, ZINC398314, ALBB-021977, 1H-Pyrazol-4-ol, 3,5-dimethyl-, MFCD00030421, AKOS014320210, FS-6398, MCULE-4175814395, CS-0061152, W-6299, CID3614246,

Complexity	86.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.064g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	112.132g/mol
Monoisotopic Mass	112.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	48.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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