200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137178-35-9
137178-35-9 | Butanedioic acid, hydroxy-, (Z)-9-octadecenyl ester (9CI)
CAS No: 137178-35-9 Catalog No: AG0012W5 MDL No:
Product Description
Catalog Number:
AG0012W5
Chemical Name:
Butanedioic acid, hydroxy-, (Z)-9-octadecenyl ester (9CI)
CAS Number:
137178-35-9
Molecular Formula:
C22H39O5-
Molecular Weight:
383.5421
IUPAC Name:
3-hydroxy-4-octadec-9-enoxy-4-oxobutanoate
InChI:
InChI=1S/C22H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-22(26)20(23)19-21(24)25/h9-10,20,23H,2-8,11-19H2,1H3,(H,24,25)/p-1
InChI Key:
YYDVIBSCNDQQSB-UHFFFAOYSA-M
SMILES:
CCCCCCCC/C=C\CCCCCCCCOC(=O)C(CC(=O)[O-])O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.28g/mol
Formal Charge:
-1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.549g/mol
Monoisotopic Mass:
383.28g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.