200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 129586-18-1
129586-18-1 | Benzoic acid, 2-(octadecyloxy)-
CAS No: 129586-18-1 Catalog No: AG000Z8L MDL No:
Product Description
Catalog Number:
AG000Z8L
Chemical Name:
Benzoic acid, 2-(octadecyloxy)-
CAS Number:
129586-18-1
Molecular Formula:
C25H42O3
Molecular Weight:
390.5992
IUPAC Name:
2-octadecoxybenzoic acid
InChI:
InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24-21-18-17-20-23(24)25(26)27/h17-18,20-21H,2-16,19,22H2,1H3,(H,26,27)
InChI Key:
OBYWYNKFFLAQBD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.313g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.608g/mol
Monoisotopic Mass:
390.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.