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940538-91-0 | 4-Oxo-4-(3-{[(tetrahydro-2-furanylmethyl)amino]-carbonyl}anilino)butanoic acid
CAS No: 940538-91-0 Catalog No: AG01FOCR MDL No:
Product Description
Catalog Number:
AG01FOCR
Chemical Name:
4-Oxo-4-(3-{[(tetrahydro-2-furanylmethyl)amino]-carbonyl}anilino)butanoic acid
CAS Number:
940538-91-0
IUPAC Name:
4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoic acid
InChI:
InChI=1S/C16H20N2O5/c19-14(6-7-15(20)21)18-12-4-1-3-11(9-12)16(22)17-10-13-5-2-8-23-13/h1,3-4,9,13H,2,5-8,10H2,(H,17,22)(H,18,19)(H,20,21)
InChI Key:
MTHOJGOAXGZCDV-UHFFFAOYSA-N
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.345g/mol
Monoisotopic Mass:
320.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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