AG019EW0

851526-85-7 | Ethyl Octahydropyrrolo[3,4-C]Pyrrole-3A-Carboxylate

AG019EW0

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CAS Number	851526-85-7
Catalog Number	AG019EW0(AGN-PC-0H6MSX)
Chemical Name	Ethyl Octahydropyrrolo[3,4-C]Pyrrole-3A-Carboxylate
IUPAC Name	ethyl 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate
InChI	InChI=1S/C9H16N2O2/c1-2-13-8(12)9-5-10-3-7(9)4-11-6-9/h7,10-11H,2-6H2,1H3
InChI Key	GBFBZKZBDOMPDH-UHFFFAOYSA-N
MDL Number	MFCD20684714
Molecular Formula	C9H16N2O2
Molecular Weight	184.2355
SMILES	C1NCC2(C1CNC2)C(=O)OCC
Synonyms	Ethyl octahydropyrrolo[3,4-c]pyrrole-3a-carboxylate, 851526-85-7, SCHEMBL929740,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.121g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	184.239g/mol
Monoisotopic Mass	184.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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