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1169930-57-7 | 3-anilino-1-prop-2-ynyl-1,3-dihydro-2H-indol-2-one
CAS No: 1169930-57-7 Catalog No: AG00J76M MDL No:MFCD12028078
Product Description
Catalog Number:
AG00J76M
Chemical Name:
3-anilino-1-prop-2-ynyl-1,3-dihydro-2H-indol-2-one
CAS Number:
1169930-57-7
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
MDL Number:
MFCD12028078
IUPAC Name:
3-anilino-1-prop-2-ynyl-3H-indol-2-one
InChI:
InChI=1S/C17H14N2O/c1-2-12-19-15-11-7-6-10-14(15)16(17(19)20)18-13-8-4-3-5-9-13/h1,3-11,16,18H,12H2
InChI Key:
SHGGSJLRVGBCRV-UHFFFAOYSA-N
SMILES:
C#CCN1c2ccccc2C(C1=O)Nc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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