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Home > Indoles and Oxindole > 13481-47-5
13481-47-5 | 1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)-
CAS No: 13481-47-5 Catalog No: AG00703V MDL No:
Product Description
Catalog Number:
AG00703V
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-(2-quinolinylmethylene)-
CAS Number:
13481-47-5
Molecular Formula:
C18H12N2O
Molecular Weight:
272.3007
IUPAC Name:
3-(quinolin-2-ylmethylidene)isoindol-1-one
InChI:
InChI=1S/C18H12N2O/c21-18-15-7-3-2-6-14(15)17(20-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-11H,(H,20,21)
InChI Key:
JMPMXZYKZRDYCH-UHFFFAOYSA-N
SMILES:
O=C1NC(=Cc2ccc3c(n2)cccc3)c2c1cccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.307g/mol
Monoisotopic Mass:
272.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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