200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 138969-03-6
138969-03-6 | Octadecanoic acid, 3-(4-hydroxyphenyl)propyl ester
CAS No: 138969-03-6 Catalog No: AG0019Y1 MDL No:
Product Description
Catalog Number:
AG0019Y1
Chemical Name:
Octadecanoic acid, 3-(4-hydroxyphenyl)propyl ester
CAS Number:
138969-03-6
Molecular Formula:
C27H46O3
Molecular Weight:
418.6523
IUPAC Name:
3-(4-hydroxyphenyl)propyl octadecanoate
InChI:
InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(29)30-24-17-18-25-20-22-26(28)23-21-25/h20-23,28H,2-19,24H2,1H3
InChI Key:
VNVCJFGUQXAJEJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCCc1ccc(cc1)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.345g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.662g/mol
Monoisotopic Mass:
418.345g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.