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477886-40-1 | (3Z)-3-[(4-methoxyphenyl)imino]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
CAS No: 477886-40-1 Catalog No: AG00IOBC MDL No:MFCD02083091
Product Description
Catalog Number:
AG00IOBC
Chemical Name:
(3Z)-3-[(4-methoxyphenyl)imino]-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-2-one
CAS Number:
477886-40-1
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
MDL Number:
MFCD02083091
IUPAC Name:
3-(4-methoxyphenyl)imino-1-prop-2-ynylindol-2-one
InChI:
InChI=1S/C18H14N2O2/c1-3-12-20-16-7-5-4-6-15(16)17(18(20)21)19-13-8-10-14(22-2)11-9-13/h1,4-11H,12H2,2H3
InChI Key:
XJCLABOFFFNWIB-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)/C(=N\c2ccc(cc2)OC)/c2c1cccc2
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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