200,000+ products from a single source!
sales@angenechem.com
29056-06-2 | Benzeneacetic acid, 4-butoxy-, methyl ester
CAS No: 29056-06-2 Catalog No: AG002X7T MDL No:
Product Description
Catalog Number:
AG002X7T
Chemical Name:
Benzeneacetic acid, 4-butoxy-, methyl ester
CAS Number:
29056-06-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
methyl 2-(4-butoxyphenyl)acetate
InChI:
InChI=1S/C13H18O3/c1-3-4-9-16-12-7-5-11(6-8-12)10-13(14)15-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
IEPLOMKGNGXJAW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)CC(=O)OC
EC Number:
249-392-7
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.