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56857-92-2 | 1-propionylindoline
CAS No: 56857-92-2 Catalog No: AG00J6JP MDL No:MFCD00463564
Product Description
Catalog Number:
AG00J6JP
Chemical Name:
1-propionylindoline
CAS Number:
56857-92-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00463564
IUPAC Name:
1-(2,3-dihydroindol-1-yl)propan-1-one
InChI:
InChI=1S/C11H13NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChI Key:
YYCFBYYIVQXFJK-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCc2c1cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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