200,000+ products from a single source!
sales@angenechem.com
130872-28-5 | Benzenepropanoic acid, 4-(1,1-dimethylethyl)-, ethyl ester
CAS No: 130872-28-5 Catalog No: AG000V1N MDL No:MFCD09028775
Product Description
Catalog Number:
AG000V1N
Chemical Name:
Benzenepropanoic acid, 4-(1,1-dimethylethyl)-, ethyl ester
CAS Number:
130872-28-5
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD09028775
IUPAC Name:
ethyl 3-(4-tert-butylphenyl)propanoate
InChI:
InChI=1S/C15H22O2/c1-5-17-14(16)11-8-12-6-9-13(10-7-12)15(2,3)4/h6-7,9-10H,5,8,11H2,1-4H3
InChI Key:
FIVJKWSXOPITKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(cc1)C(C)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.