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18112-46-4 | 2-hydroxy-1-(1H-indol-3-yl)propan-1-one
CAS No: 18112-46-4 Catalog No: AG01B7Z4 MDL No:MFCD01696511
Product Description
Catalog Number:
AG01B7Z4
Chemical Name:
2-hydroxy-1-(1H-indol-3-yl)propan-1-one
CAS Number:
18112-46-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD01696511
IUPAC Name:
2-hydroxy-1-(1H-indol-3-yl)propan-1-one
InChI:
InChI=1S/C11H11NO2/c1-7(13)11(14)9-6-12-10-5-3-2-4-8(9)10/h2-7,12-13H,1H3
InChI Key:
NMKWQEPJWHWJLU-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1c[nH]c2c1cccc2)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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