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Home > Indoles and Oxindole > 692287-44-8
692287-44-8 | (2E)-3-[4-(3-formyl-1H-indol-1-yl)phenyl]-2-(thiophen-2-yl)prop-2-enenitrile
CAS No: 692287-44-8 Catalog No: AG00IQAQ MDL No:MFCD03102551
Product Description
Catalog Number:
AG00IQAQ
Chemical Name:
(2E)-3-[4-(3-formyl-1H-indol-1-yl)phenyl]-2-(thiophen-2-yl)prop-2-enenitrile
CAS Number:
692287-44-8
Molecular Formula:
C22H14N2OS
Molecular Weight:
354.4244
MDL Number:
MFCD03102551
IUPAC Name:
(E)-3-[4-(3-formylindol-1-yl)phenyl]-2-thiophen-2-ylprop-2-enenitrile
InChI:
InChI=1S/C22H14N2OS/c23-13-17(22-6-3-11-26-22)12-16-7-9-19(10-8-16)24-14-18(15-25)20-4-1-2-5-21(20)24/h1-12,14-15H/b17-12+
InChI Key:
XGVCGFXRWJKNIX-SFQUDFHCSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)n1cc(c2c1cccc2)C=O)/c1cccs1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
354.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.427g/mol
Monoisotopic Mass:
354.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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