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Home > Indoles and Oxindole > 169331-29-7
169331-29-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(1R)-1-(hydroxymethyl)propyl]-
CAS No: 169331-29-7 Catalog No: AG007AMQ MDL No:MFCD27963576
Product Description
Catalog Number:
AG007AMQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1R)-1-(hydroxymethyl)propyl]-
CAS Number:
169331-29-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD27963576
IUPAC Name:
2-[(2R)-1-hydroxybutan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-6,8,14H,2,7H2,1H3/t8-/m1/s1
InChI Key:
IBGZCJUHWHWXSL-MRVPVSSYSA-N
SMILES:
CC[C@@H](N1C(=O)c2c(C1=O)cccc2)CO
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro antimycobacterial activity of compounds derived from (R)- and (S)-2-amino-1-butanol - The crucial role of the configuration. | European journal of medicinal chemistry 20120201 |
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