200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 130468-88-1
130468-88-1 | Pentanedioic acid, 1-(1-phenylethyl) ester
CAS No: 130468-88-1 Catalog No: AG000UG7 MDL No:
Product Description
Catalog Number:
AG000UG7
Chemical Name:
Pentanedioic acid, 1-(1-phenylethyl) ester
CAS Number:
130468-88-1
Molecular Formula:
C13H15O4-
Molecular Weight:
235.2558
IUPAC Name:
5-oxo-5-(1-phenylethoxy)pentanoate
InChI:
InChI=1S/C13H16O4/c1-10(11-6-3-2-4-7-11)17-13(16)9-5-8-12(14)15/h2-4,6-7,10H,5,8-9H2,1H3,(H,14,15)/p-1
InChI Key:
ZFFMPFVNLVZLMM-UHFFFAOYSA-M
SMILES:
CC(c1ccccc1)OC(=O)CCCC(=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.097g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.259g/mol
Monoisotopic Mass:
235.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.