Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester, (aS)-


Chemical Name: Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester, (aS)-
CAS Number: 222555-06-8
Product Number: AG00BDET(AGN-PC-0QYVKB)
Synonyms:
MDL No:
Molecular Formula: C13H18O4
Molecular Weight: 238.2796

Identification/Properties


Computed Properties
Molecular Weight:
238.283g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
238.121g/mol
Monoisotopic Mass:
238.121g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback