Home Other Building Blocks 3',6'-Dihydroxy-3-oxo-N-(prop-2-yn-1-yl)-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide

3',6'-Dihydroxy-3-oxo-N-(prop-2-yn-1-yl)-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide

CAS No.:
510758-19-7
Catalog Number:
AG00DM1K
Molecular Formula:
C24H15NO6
Molecular Weight:
413.3790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
95%
In Stock USA
United States
$123
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Product Description
Catalog Number:
AG00DM1K
Chemical Name:
3',6'-Dihydroxy-3-oxo-N-(prop-2-yn-1-yl)-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide
CAS Number:
510758-19-7
Molecular Formula:
C24H15NO6
Molecular Weight:
413.3790
MDL Number:
MFCD28505571
IUPAC Name:
3',6'-dihydroxy-3-oxo-N-prop-2-ynylspiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
InChI:
InChI=1S/C24H15NO6/c1-2-9-25-22(28)13-3-6-17-16(10-13)23(29)31-24(17)18-7-4-14(26)11-20(18)30-21-12-15(27)5-8-19(21)24/h1,3-8,10-12,26-27H,9H2,(H,25,28)
InChI Key:
UNBAJBIGCBVWJU-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
Properties
Complexity:
762  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.09g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
413.385g/mol
Monoisotopic Mass:
413.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties