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1201-26-9 | 2-Propanone, 1-(1H-indol-3-yl)-
CAS No: 1201-26-9 Catalog No: AG000QB5 MDL No:MFCD00047187
Product Description
Catalog Number:
AG000QB5
Chemical Name:
2-Propanone, 1-(1H-indol-3-yl)-
CAS Number:
1201-26-9
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD00047187
IUPAC Name:
1-(1H-indol-3-yl)propan-2-one
InChI:
InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3
InChI Key:
LDVHYJKRIKBISQ-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1c[nH]c2c1cccc2
EC Number:
214-855-4
UNII:
0YSP0BPC6X
NSC Number:
100751
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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