200,000+ products from a single source!
sales@angenechem.com
16150-45-1 | 4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, 2,2'-diethyl ester
CAS No: 16150-45-1 Catalog No: AG001VNE MDL No:MFCD01762791
Product Description
Catalog Number:
AG001VNE
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, 2,2'-diethyl ester
CAS Number:
16150-45-1
Molecular Formula:
C27H24O11
Molecular Weight:
524.4729
MDL Number:
MFCD01762791
IUPAC Name:
ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
InChI:
InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3
InChI Key:
KRBBSLDXYDBFEC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(COc1cccc2c1c(=O)cc(o2)C(=O)OCC)O
EC Number:
605-256-2
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.132g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
524.478g/mol
Monoisotopic Mass:
524.132g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.