200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 25151-96-6
25151-96-6 | 9-Octadecenoic acid (9Z)-, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
CAS No: 25151-96-6 Catalog No: AG002QNV MDL No:
Product Description
Catalog Number:
AG002QNV
Chemical Name:
9-Octadecenoic acid (9Z)-, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
CAS Number:
25151-96-6
Molecular Formula:
C41H80O8
Molecular Weight:
701.0691
IUPAC Name:
[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
InChI:
InChI=1S/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17+,20-18+
InChI Key:
BJXXCOMGRRCAGN-XPWSMXQVSA-N
SMILES:
OCC(CO)(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O
EC Number:
246-665-2
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
664.564g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
665.053g/mol
Monoisotopic Mass:
664.564g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.