AG00DM30

478968-48-8 | Ethyl 3-methoxy-1H-pyrazole-4-carboxylate

AG00DM30

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CAS Number	478968-48-8
Catalog Number	AG00DM30(AGN-PC-0OAQUF)
Chemical Name	Ethyl 3-methoxy-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-methoxy-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C7H10N2O3/c1-3-12-7(10)5-4-8-9-6(5)11-2/h4H,3H2,1-2H3,(H,8,9)
InChI Key	VXHCBKUFAXDEDI-UHFFFAOYSA-N
MDL Number	MFCD13689107
Molecular Formula	C7H10N2O3
Molecular Weight	170.1659
SMILES	O=C(C1=CNN=C1OC)OCC
Synonyms	Ethyl 3-methoxy-1H-pyrazole-4-carboxylate, 478968-48-8, 1H-Pyrazole-4-carboxylic acid, 3-methoxy-, ethyl ester, AK164956, SCHEMBL3721899, KS-00000STD, VXHCBKUFAXDEDI-UHFFFAOYSA-N, MFCD13689107, AKOS025147154, ZINC168659498, DS-8849, SB21948, 3-Methoxy-1H-pyrazole-4-carboxylic acid ethyl ester, methyl 3-methoxy-1H-pyrazole-4-carboxylate,

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	1
Isotope Atom Count	0
Molecular Weight	170.168g/mol
Monoisotopic Mass	170.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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