AG002TVQ

26628-47-7 | Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-

AG002TVQ

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CAS Number	26628-47-7
Catalog Number	AG002TVQ(AGN-PC-0R2LF0)
Chemical Name	Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-
EC Number	247-853-7
IUPAC Name	9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
InChI	InChI=1S/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
InChI Key	HMNGPLGXLQFPFN-UHFFFAOYSA-N
MDL Number	MFCD00480357
Molecular Formula	C28H23NO3
Molecular Weight	421.4871
SMILES	CCN(CC)c1ccc2c(Oc3ccc4ccccc4c3C22OC(=O)c3ccccc23)c1
Synonyms	26628-47-7, 6'-(Diethylamino)-1',2'-benzofluoran, 9'-(diethylamino)-3h-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one, 9-(Diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, Spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, 9-(diethylamino)-, Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-, 3-Diethylaminobenzo(a)fluoran, Fluoran Red, 9-(Diethylamino)spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, EINECS 247-853-7, AC1L3KMV, AC1Q6MNG, SCHEMBL225586, 6-Diethylamino-1,2-benzofluoran, MFCD00480357, STK524835, AKOS005458469, MCULE-8908494803, ACM26628477, Spiro(isobenzofuran-1(3H), 12'-(12H)benzo(a)xanthene)-9'-diethylamino-3-one, D3203, 9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one, 9-(diethylamino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one, 9-(diethylamino)-Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, UNII-53LNR505Q7, C28H23NO3, 1,2-Benz-6-diethylaminofluorane, 53LNR505Q7, AR-1H5100, C28-H23-N-O3, CID117321, ZINC04794582, 6079-78-3,

Complexity	707
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	421.168g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	421.496g/mol
Monoisotopic Mass	421.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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