Name: Name:3',6'-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Brand: Angene
SKU: AG00DFHL
Rating: 90 (10 reviews)

3',6'-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

CAS No.:

53299-21-1

Catalog Number:

AG00DFHL

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00DFHL

Chemical Name:

3',6'-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

CAS Number:

53299-21-1

MDL Number:

MFCD18252513

IUPAC Name:

(6'-acetyloxy-6-nitro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate

InChI:

InChI=1S/C24H15NO9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)24(18)20-9-14(25(29)30)3-6-17(20)23(28)34-24/h3-11H,1-2H3

InChI Key:

VYIGESZPYCCIHE-UHFFFAOYSA-N

Complexity:

829

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

461.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

461.382g/mol

Monoisotopic Mass:

461.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5