200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 16409-24-8
16409-24-8 | Benzoic acid, 3-methyl-, octyl ester
CAS No: 16409-24-8 Catalog No: AG001UN6 MDL No:
Product Description
Catalog Number:
AG001UN6
Chemical Name:
Benzoic acid, 3-methyl-, octyl ester
CAS Number:
16409-24-8
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
IUPAC Name:
octyl 3-methylbenzoate
InChI:
InChI=1S/C16H24O2/c1-3-4-5-6-7-8-12-18-16(17)15-11-9-10-14(2)13-15/h9-11,13H,3-8,12H2,1-2H3
InChI Key:
HGEOTNHWCJQOTI-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1cccc(c1)C
NSC Number:
38142
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.