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Home > Indoles and Oxindole > 879038-29-6
879038-29-6 | 3-(3-Morpholin-4-ylmethyl-indol-1-yl)-propionic acid
CAS No: 879038-29-6 Catalog No: AG01EY52 MDL No:
Product Description
Catalog Number:
AG01EY52
Chemical Name:
3-(3-Morpholin-4-ylmethyl-indol-1-yl)-propionic acid
CAS Number:
879038-29-6
Molecular Formula:
C16H20N2O3
Molecular Weight:
288.3416
IUPAC Name:
3-[3-(morpholin-4-ylmethyl)indol-1-yl]propanoic acid
InChI:
InChI=1S/C16H20N2O3/c19-16(20)5-6-18-12-13(11-17-7-9-21-10-8-17)14-3-1-2-4-15(14)18/h1-4,12H,5-11H2,(H,19,20)
InChI Key:
WXVWNSBOBTYFPH-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cc(c2c1cccc2)CN1CCOCC1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.347g/mol
Monoisotopic Mass:
288.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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