200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 142050-21-3
142050-21-3 | 1,3-Propanedione, 1,3-bis[3,5-bis(decyloxy)phenyl]-
CAS No: 142050-21-3 Catalog No: AG001HNB MDL No:
Product Description
Catalog Number:
AG001HNB
Chemical Name:
1,3-Propanedione, 1,3-bis[3,5-bis(decyloxy)phenyl]-
CAS Number:
142050-21-3
Molecular Formula:
C55H92O6
Molecular Weight:
849.3154
IUPAC Name:
1,3-bis(3,5-didecoxyphenyl)propane-1,3-dione
InChI:
InChI=1S/C55H92O6/c1-5-9-13-17-21-25-29-33-37-58-50-41-48(42-51(45-50)59-38-34-30-26-22-18-14-10-6-2)54(56)47-55(57)49-43-52(60-39-35-31-27-23-19-15-11-7-3)46-53(44-49)61-40-36-32-28-24-20-16-12-8-4/h41-46H,5-40,47H2,1-4H3
InChI Key:
TXUCYIPQMOGMFP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(cc(c1)OCCCCCCCCCC)C(=O)CC(=O)c1cc(OCCCCCCCCCC)cc(c1)OCCCCCCCCCC
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
848.689g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
849.335g/mol
Monoisotopic Mass:
848.689g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.