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921206-10-2 | 3-Buten-2-one, 4-(3-quinolinyl)-, (3E)-
CAS No: 921206-10-2 Catalog No: AG006659 MDL No:
Product Description
Catalog Number:
AG006659
Chemical Name:
3-Buten-2-one, 4-(3-quinolinyl)-, (3E)-
CAS Number:
921206-10-2
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
4-quinolin-3-ylbut-3-en-2-one
InChI:
InChI=1S/C13H11NO/c1-10(15)6-7-11-8-12-4-2-3-5-13(12)14-9-11/h2-9H,1H3
InChI Key:
PECQMBYMPKIUNA-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1cnc2c(c1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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