200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 79986-04-2
79986-04-2 | 4H-1-Benzopyran-4-one,2-(2,3-dihydro-2,3-diphenyl-1,4-benzodioxin-6-yl)-2,3-dihydro-3,7-dihydroxy-,[2R-[2a,3b,6(2R*,3R*)]]- (9CI)
CAS No: 79986-04-2 Catalog No: AG005EPD MDL No:
Product Description
Catalog Number:
AG005EPD
Chemical Name:
4H-1-Benzopyran-4-one,2-(2,3-dihydro-2,3-diphenyl-1,4-benzodioxin-6-yl)-2,3-dihydro-3,7-dihydroxy-,[2R-[2a,3b,6(2R*,3R*)]]- (9CI)
CAS Number:
79986-04-2
Molecular Formula:
C29H22O6
Molecular Weight:
466.4814
IUPAC Name:
2-(2,3-diphenyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C29H22O6/c30-20-12-13-21-23(16-20)34-27(26(32)25(21)31)19-11-14-22-24(15-19)35-29(18-9-5-2-6-10-18)28(33-22)17-7-3-1-4-8-17/h1-16,26-30,32H
InChI Key:
IQGRDPANFXVLLT-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC(C(C2=O)O)c1ccc2c(c1)OC(C(O2)c1ccccc1)c1ccccc1
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.142g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.489g/mol
Monoisotopic Mass:
466.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.