AG00DG54

518990-21-1 | ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate

AG00DG54

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CAS Number	518990-21-1
Catalog Number	AG00DG54(AGN-PC-0WBKWM)
Chemical Name	ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
IUPAC Name	ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
InChI	InChI=1S/C9H12N2O3/c1-2-14-9(12)8-6-5-13-4-3-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
InChI Key	NIQZAUPMNUPTMP-UHFFFAOYSA-N
MDL Number	MFCD18250672
Molecular Formula	C9H12N2O3
Molecular Weight	196.2032
SMILES	O=C(C1=NNC2=C1COCC2)OCC
Synonyms	518990-21-1, ETHYL 1,4,6,7-TETRAHYDROPYRANO[4,3-C]PYRAZOLE-3-CARBOXYLATE, 2,4,6,7-Tetrahydro-pyrano[4,3-c]pyrazole-3-carboxylic acid ethyl ester, 1297547-66-0, 1,4,6,7-Tetrahydro-pyrano[4,3-c]pyrazole-3-carboxylic acid ethyl ester, SCHEMBL1808383, NIQZAUPMNUPTMP-UHFFFAOYSA-N, MFCD18250672, ZINC94968089, AKOS016353160, AKOS016353168, AB73444, FCH1172771, MCULE-1398007578, AK-65244, DA-05266, DS-15747, TZ001129, AB0199607, AJ-131974, AX8218375, CS-0037886, FT-0729565, Z-9108, Z-9113, Ethyl 2,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate, 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid ethyl ester, Pyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro-, ethyl ester,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.085g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.206g/mol
Monoisotopic Mass	196.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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