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Home > Indoles and Oxindole > 125941-72-2
125941-72-2 | 1H-Indole-2,3-dione, 1-(1-phenylethyl)-
CAS No: 125941-72-2 Catalog No: AG000QKS MDL No:
Product Description
Catalog Number:
AG000QKS
Chemical Name:
1H-Indole-2,3-dione, 1-(1-phenylethyl)-
CAS Number:
125941-72-2
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
1-(1-phenylethyl)indole-2,3-dione
InChI:
InChI=1S/C16H13NO2/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15(18)16(17)19/h2-11H,1H3
InChI Key:
UBEPPALAFUEXBM-UHFFFAOYSA-N
SMILES:
CC(N1c2ccccc2C(=O)C1=O)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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