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756525-98-1 | 3-[2-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]propanoic acid
CAS No: 756525-98-1 Catalog No: AG003A2E MDL No:
Product Description
Catalog Number:
AG003A2E
Chemical Name:
3-[2-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]propanoic acid
CAS Number:
756525-98-1
Molecular Formula:
C14H20N2O7
Molecular Weight:
328.3178
IUPAC Name:
3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C14H20N2O7/c17-11(3-6-16-12(18)1-2-13(16)19)15-5-8-23-10-9-22-7-4-14(20)21/h1-2H,3-10H2,(H,15,17)(H,20,21)
InChI Key:
GBPJQBDDYXDSNH-UHFFFAOYSA-N
SMILES:
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.321g/mol
Monoisotopic Mass:
328.127g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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