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20745-37-3 | Benzeneacetic acid, 4-[(2-phenoxyacetyl)amino]-
CAS No: 20745-37-3 Catalog No: AG002J1S MDL No:
Product Description
Catalog Number:
AG002J1S
Chemical Name:
Benzeneacetic acid, 4-[(2-phenoxyacetyl)amino]-
CAS Number:
20745-37-3
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
2-[4-[(2-phenoxyacetyl)amino]phenyl]acetic acid
InChI:
InChI=1S/C16H15NO4/c18-15(11-21-14-4-2-1-3-5-14)17-13-8-6-12(7-9-13)10-16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChI Key:
VFSJMHWKTYLLQM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)CC(=O)O)COc1ccccc1
NSC Number:
211895
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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