200,000+ products from a single source!
sales@angenechem.com
150322-06-8 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 3',6'-bis(dimethylamino)-3-oxo-
CAS No: 150322-06-8 Catalog No: AG001MIO MDL No:MFCD01073638
Product Description
Catalog Number:
AG001MIO
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 3',6'-bis(dimethylamino)-3-oxo-
CAS Number:
150322-06-8
Molecular Formula:
C25H22N2O5
Molecular Weight:
430.4526
MDL Number:
MFCD01073638
IUPAC Name:
3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI:
InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)31-22-13-16(27(3)4)7-10-19(22)25(18)20-11-14(23(28)29)5-8-17(20)24(30)32-25/h5-13H,1-4H3,(H,28,29)
InChI Key:
AIOHJULCHGRPMK-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)O)ccc(c1)N(C)C)C
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.153g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.46g/mol
Monoisotopic Mass:
430.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.