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20745-38-4 | Acetic acid, 2-[4-[(2-phenoxyacetyl)amino]phenoxy]-
CAS No: 20745-38-4 Catalog No: AG002J2W MDL No:
Product Description
Catalog Number:
AG002J2W
Chemical Name:
Acetic acid, 2-[4-[(2-phenoxyacetyl)amino]phenoxy]-
CAS Number:
20745-38-4
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
2-[4-[(2-phenoxyacetyl)amino]phenoxy]acetic acid
InChI:
InChI=1S/C16H15NO5/c18-15(10-21-13-4-2-1-3-5-13)17-12-6-8-14(9-7-12)22-11-16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChI Key:
LTDKKZPMWAEFDP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)OCC(=O)O)COc1ccccc1
UNII:
E54SSL7100
NSC Number:
210929
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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