200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86803-13-6
86803-13-6 | diethyl 2-(pyren-1-yl)pentanedioate
CAS No: 86803-13-6 Catalog No: AG004J3D MDL No:
Product Description
Catalog Number:
AG004J3D
Chemical Name:
diethyl 2-(pyren-1-yl)pentanedioate
CAS Number:
86803-13-6
Molecular Formula:
C25H24O4
Molecular Weight:
388.4557
IUPAC Name:
diethyl 2-pyren-1-ylpentanedioate
InChI:
InChI=1S/C25H24O4/c1-3-28-22(26)15-14-21(25(27)29-4-2)19-12-10-18-9-8-16-6-5-7-17-11-13-20(19)24(18)23(16)17/h5-13,21H,3-4,14-15H2,1-2H3
InChI Key:
BCQFVKFGZYLQHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc2c3c1ccc1c3c(cc2)ccc1)CCC(=O)OCC
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.167g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.463g/mol
Monoisotopic Mass:
388.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.