AG001AOL

139297-51-1 | 1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl-

AG001AOL

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CAS Number	139297-51-1
Catalog Number	AG001AOL(AGN-PC-00383P)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl-
IUPAC Name	5-methoxy-1-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C6H8N2O3/c1-8-5(11-2)3-4(7-8)6(9)10/h3H,1-2H3,(H,9,10)
InChI Key	SXCXVIBZRADHQB-UHFFFAOYSA-N
MDL Number	MFCD13175000
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
SMILES	C(=O)(O)c1cc(n(n1)C)OC
Synonyms	5-METHOXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID, 139297-51-1, 1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl-, SCHEMBL9133007, DTXSID20566597, MFCD13175000, ZINC34421730, AKOS016015122, MCULE-4914715701, NE24556, KS-00000P69, AJ-88457, AK-68373, DS-16984, SC-83315, CS-0061733, FT-0753664, 5-methoxy-1-methyl-1H-pyrazole-3-carboxylic aci, 5-METHOXY-1-METHYLPYRAZOLE-3-CARBOXYLIC ACID, F8889-6704, Z1723549277, 1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl- (9CI),

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.4A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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