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Home > Indoles and Oxindole > 104902-94-5
104902-94-5 | 1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CAS No: 104902-94-5 Catalog No: AG01BA2K MDL No:MFCD12091097
Product Description
Catalog Number:
AG01BA2K
Chemical Name:
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CAS Number:
104902-94-5
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD12091097
IUPAC Name:
1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
InChI:
InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChI Key:
MBODXUXQQPORNR-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCc2c1cccc2
Properties
Complexity:
224
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:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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