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35227-94-2 | 1-(prop-2-yn-1-yl)quinolin-2(1H)-one
CAS No: 35227-94-2 Catalog No: AG01DFD8 MDL No:MFCD19650503
Product Description
Catalog Number:
AG01DFD8
Chemical Name:
1-(prop-2-yn-1-yl)quinolin-2(1H)-one
CAS Number:
35227-94-2
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD19650503
IUPAC Name:
1-prop-2-ynylquinolin-2-one
InChI:
InChI=1S/C12H9NO/c1-2-9-13-11-6-4-3-5-10(11)7-8-12(13)14/h1,3-8H,9H2
InChI Key:
AYYNRDDFCUVLNV-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)ccc2c1cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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