200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 23495-13-8
23495-13-8 | Pentanoic acid, 2-phenoxyethyl ester
CAS No: 23495-13-8 Catalog No: AG002NEJ MDL No:
Product Description
Catalog Number:
AG002NEJ
Chemical Name:
Pentanoic acid, 2-phenoxyethyl ester
CAS Number:
23495-13-8
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
2-phenoxyethyl pentanoate
InChI:
InChI=1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChI Key:
VTDVFBXXQCGSIB-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OCCOc1ccccc1
UNII:
7YW24WC8TG
NSC Number:
21876
Properties
Complexity:
186
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:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
© 2019 Angene International Limited. All rights Reserved.