AG0017MH

1226781-82-3 | Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester

AG0017MH

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CAS Number	1226781-82-3
Catalog Number	AG0017MH(AGN-PC-0WAMFZ)
Chemical Name	Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI	InChI=1S/C11H17N3O4S/c1-11(2,3)18-10(15)13-5-8-6-14(19(4,16)17)12-9(8)7-13/h6H,5,7H2,1-4H3
InChI Key	SNEHALFDVXIDSZ-UHFFFAOYSA-N
MDL Number	MFCD24467621
Molecular Formula	C11H17N3O4S
Molecular Weight	287.3354
SMILES	O=C(N1CC2=NN(S(=O)(C)=O)C=C2C1)OC(C)(C)C
Synonyms	1226781-82-3, tert-butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate, tert-butyl 2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, 2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid tert-butyl ester, tert-butyl 2-methanesulfonyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate, SNEHALFDVXIDSZ-UHFFFAOYSA-N, AMOT0212, SCHEMBL14358443, BCP28735, CS-M3051, MFCD24467621, AKOS026674084, ZINC148379201, AM85512, DS-9961, AC-29238, AK198904, DA-47065, SY116151, FT-0744358, MFCD24467621 (95%), 5-Boc-2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole, tert-butyl 2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate, Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester, ACN-037447,

Complexity	465
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.094g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	287.334g/mol
Monoisotopic Mass	287.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

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