200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 120-50-3
120-50-3 | Benzoic acid, 2-methylpropyl ester
CAS No: 120-50-3 Catalog No: AG000Q0U MDL No:MFCD00048344
Product Description
Catalog Number:
AG000Q0U
Chemical Name:
Benzoic acid, 2-methylpropyl ester
CAS Number:
120-50-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00048344
IUPAC Name:
2-methylpropyl benzoate
InChI:
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
KYZHGEFMXZOSJN-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccccc1)C
EC Number:
204-401-3
UNII:
KQ6XZ9WJII
NSC Number:
6580
FEMA Number:
2185
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions. | Physical chemistry chemical physics : PCCP 20110914 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.