AG00FH5N

694439-03-7 | (4aR,7aS)-tert-butyl tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate

AG00FH5N

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CAS Number	694439-03-7
Catalog Number	AG00FH5N(AGN-PC-0TVQVC)
Chemical Name	(4aR,7aS)-tert-butyl tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate
IUPAC Name	tert-butyl (4aR,7aS)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole-6-carboxylate
InChI	InChI=1S/C11H19NO4/c1-11(2,3)16-10(13)12-6-8-9(7-12)15-5-4-14-8/h8-9H,4-7H2,1-3H3/t8-,9+
InChI Key	YTGMDYKVUYMIQK-DTORHVGOSA-N
MDL Number	MFCD28100873
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	O=C(N1C[C@@](OCCO2)([H])[C@@]2([H])C1)OC(C)(C)C
Synonyms	694439-03-7, (4aR,7aS)-tert-Butyl tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate, (4aR,7aS)-rel-tert-Butyl tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate, AK165850, KS-00000SUJ, tert-butyl (4aR,7aS)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole-6-carboxylate, MFCD28100873, ZINC230529789, DS-9039, FCH3569696, CS-0037439, (4aR,7aS)-tert-butyltetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate, YTGMDYKVUYMIQK-DTORHVGOSA-N, (4AR,7aS)-tert-Butyl tetrahydro-2H-[1,4]-dioxino[2,3-c]pyrrole-6(3H)-carboxylate,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	48A^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-H317
Packing Group
Precautionary statements	P280
UN Code

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