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141340-60-5 | Butanoic acid, 4-[[9-(hydroxymethyl)-9H-fluoren-2-yl]amino]-4-oxo-
CAS No: 141340-60-5 Catalog No: AG001G92 MDL No:
Product Description
Catalog Number:
AG001G92
Chemical Name:
Butanoic acid, 4-[[9-(hydroxymethyl)-9H-fluoren-2-yl]amino]-4-oxo-
CAS Number:
141340-60-5
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
4-[[9-(hydroxymethyl)-9H-fluoren-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C18H17NO4/c20-10-16-13-4-2-1-3-12(13)14-6-5-11(9-15(14)16)19-17(21)7-8-18(22)23/h1-6,9,16,20H,7-8,10H2,(H,19,21)(H,22,23)
InChI Key:
PQRYOOAOCNLPGT-UHFFFAOYSA-N
SMILES:
OCC1c2cc(ccc2c2c1cccc2)NC(=O)CCC(=O)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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