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89346-85-0 | Ethanol, 2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]-, 2-aminobenzoate
CAS No: 89346-85-0 Catalog No: AG003Z8K MDL No:
Product Description
Catalog Number:
AG003Z8K
Chemical Name:
Ethanol, 2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]-, 2-aminobenzoate
CAS Number:
89346-85-0
Molecular Formula:
C21H29NO7
Molecular Weight:
407.4575
IUPAC Name:
2-aminobenzoic acid;2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C14H22O5.C7H7NO2/c15-6-7-16-8-9-17-10-11-18-12-13-19-14-4-2-1-3-5-14;8-6-4-2-1-3-5(6)7(9)10/h1-5,15H,6-13H2;1-4H,8H2,(H,9,10)
InChI Key:
XZJPUKRVYZCUJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N.OCCOCCOCCOCCOc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.463g/mol
Monoisotopic Mass:
407.194g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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