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46168-31-4 | 2-amino-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
CAS No: 46168-31-4 Catalog No: AG01ADEP MDL No:MFCD09724235
Product Description
Catalog Number:
AG01ADEP
Chemical Name:
2-amino-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
CAS Number:
46168-31-4
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD09724235
IUPAC Name:
2-amino-1-(2,3-dihydroindol-1-yl)ethanone
InChI:
InChI=1S/C10H12N2O/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7,11H2
InChI Key:
WLXBBTRDAKJZQM-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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