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114495-28-2 | Ethanone, 1-(4-amino-1H-indol-3-yl)-
CAS No: 114495-28-2 Catalog No: AG000EKI MDL No:MFCD12924798
Product Description
Catalog Number:
AG000EKI
Chemical Name:
Ethanone, 1-(4-amino-1H-indol-3-yl)-
CAS Number:
114495-28-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD12924798
IUPAC Name:
1-(4-amino-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H10N2O/c1-6(13)7-5-12-9-4-2-3-8(11)10(7)9/h2-5,12H,11H2,1H3
InChI Key:
FJCAZCLEEJMQPJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1c(N)ccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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