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101093-93-0,MFCD02724891
Catalog No.:AA0003O2
101093-93-0 | 2-(2-Phenoxyethoxy)benzoic acid
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  • Technical Information
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Technical Information
Catalog Number:
AA0003O2
Chemical Name:
2-(2-Phenoxyethoxy)benzoic acid
CAS Number:
101093-93-0
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD02724891
IUPAC Name:
2-(2-phenoxyethoxy)benzoic acid
InChI:
InChI=1S/C15H14O4/c16-15(17)13-8-4-5-9-14(13)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChI Key:
XTODKUCZLUADDH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OCCOc1ccccc1
Properties
Computed Properties
 
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
2-(2-phenoxyethoxy)benzoic acid 
101093-93-0 
AC1M5UE6 
AC1Q73O0 
ARONIS010141 
SCHEMBL2452436 
CHEMBL1508435 
CTK3J9541 
DTXSID50368248 
HMS1399O20 
HMS2186F09 
ZINC3243453 
2-(2-Phenoxy-ethoxy)-benzoic acid 
MFCD02724891 
SBB079972 
STL065741 
Benzoic acid, 2-(2-phenoxyethoxy)- 
AKOS000114540 
MCULE-7119248806 
NE39480 
KS-000041L1 
RT-007008 
ST45046868 
MLS000081810 
EN300-00075 
AN-329/13481005 
Z56820985 
CID2360902 
2-(2-phenoxy-ethoxy)benzoic acid 
Benzoic acid,2-(2-phenoxyethoxy)- 
SMR000061087 
ACMC-20duso 
Enamine_002088 
Opera_ID_1907 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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