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1449390-66-2 | 5,8,11,14,17-Pentaoxa-2-azanonadecanedioic acid, 1-(phenylmethyl) ester
CAS No: 1449390-66-2 Catalog No: AG001KD1 MDL No:
Product Description
Catalog Number:
AG001KD1
Chemical Name:
5,8,11,14,17-Pentaoxa-2-azanonadecanedioic acid, 1-(phenylmethyl) ester
CAS Number:
1449390-66-2
Molecular Formula:
C20H30NO9-
Molecular Weight:
428.4535
IUPAC Name:
2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C20H31NO9/c22-19(23)17-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-21-20(24)30-16-18-4-2-1-3-5-18/h1-5H,6-17H2,(H,21,24)(H,22,23)
InChI Key:
JEVLWNSJFGPKCP-UHFFFAOYSA-N
SMILES:
[O-]C(=O)COCCOCCOCCOCCOCCNC(=O)OCc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.2g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
429.466g/mol
Monoisotopic Mass:
429.2g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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