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101093-93-0 | Benzoic acid, 2-(2-phenoxyethoxy)-
CAS No: 101093-93-0 Catalog No: AG0003QU MDL No:MFCD02724891
Product Description
Catalog Number:
AG0003QU
Chemical Name:
Benzoic acid, 2-(2-phenoxyethoxy)-
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
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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