AG002FG5

191744-13-5 | 11H-1,4-Dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one, 2,3,6a,7,8,9-hexahydro-

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CAS Number	191744-13-5
Catalog Number	AG002FG5(AGN-PC-0LPLP4)
Chemical Name	11H-1,4-Dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one, 2,3,6a,7,8,9-hexahydro-
IUPAC Name	4,7,11-trioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-trien-17-one
InChI	InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2
InChI Key	RQEPVMAYUINZRE-UHFFFAOYSA-N
MDL Number	MFCD13248581
Molecular Formula	C13H13NO4
Molecular Weight	247.2466
SMILES	O=C2N4C(CCC4)OC1=CC3=C(OCCO3)C=C12
Synonyms	2,3,6a,7,8,9-hexahydro-11H-(1,4)dioxino(2,3-g)pyrrolo(2,1-b)(1,3)benzoxazin-11-one, 2H,3H,6aH-pyrrolidino(2'',1''-3',2')1,3-oxazino(6',5'-5,4)benzo(e)1, 4-dioxan-10-one, BDP 37, BDP-37, CX 614, CX-614, CX614, 191744-13-5, 6a,7,8,9-Tetrahydro-2H-[1,4]dioxino[2',3':4,5]benzo[1,2-e]pyrrolo[2,1-b][1,3]oxazin-11(3H)-one, BDP 37, CX 614, CX614, CX-614, CHEMBL599662, 2,3,6a,7,8,9-Hexahydro-11H-1,4-dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one, 2H,3H,6aH-pyrrolidino(2'',1''-3',2')1,3-oxazino(6',5'-5,4)benzo(e)1, 4-dioxan-10-one, LiD 37, SCHEMBL678000, GTPL7842, CTK8C1732, 9965AA, ANW-67143, BDBM50330411, MFCD13248581, AKOS015914021, AN-2771, API0008076, ACM191744135, AK-89926, AS-41254, SC-68598, AB0048054, AX8238267, RT-011435, AM20030254, FT-0662506, ST24045539, A21282, Pyrrolidino-1,3-oxazinobenzo-1,4-dioxan-10-one, 6a,7,8,9-Tetrahydro-2H-[1,4]dioxino[2',3', I14-44913, 6a,7,8,9-tetrahydro-2H-[1,4]dioxino[2',3':4,5]benz, 1,2,3,7,8,11a-Hexahydro-6,9,11-trioxa-3a-aza-cyclopenta[b]anthracen-4-one, 11H-1,4-Dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one, 2,3,6a,7,8,9-hexahydro-, 2H,3H,6aH-pyrrolidino(2'',1''-3',2')1,3-oxazino(6',5'-5,4)benzo(e)1,4-dioxan-10-one, 6A,7,8,9-TETRAHYDRO-2H-[1,4]DIOXINO[2,3:4,5]BENZO[1,2-E]PYRROLO[2,1-B][1,3]OXAZIN-11(3H)-ONE, UNII-87V631480W, C13H13NO4, RQEPVMAYUINZRE-UHFFFAOYSA-N, CID6451148, 87V631480W, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE,

Complexity	361
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.084g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.25g/mol
Monoisotopic Mass	247.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	48A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number