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35227-95-3 | 4-methyl-1-(prop-2-yn-1-yl)-1,2-dihydroquinolin-2-one
CAS No: 35227-95-3 Catalog No: AG00IUVK MDL No:MFCD01444191
Product Description
Catalog Number:
AG00IUVK
Chemical Name:
4-methyl-1-(prop-2-yn-1-yl)-1,2-dihydroquinolin-2-one
CAS Number:
35227-95-3
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD01444191
IUPAC Name:
4-methyl-1-prop-2-ynylquinolin-2-one
InChI:
InChI=1S/C13H11NO/c1-3-8-14-12-7-5-4-6-11(12)10(2)9-13(14)15/h1,4-7,9H,8H2,2H3
InChI Key:
RVJVZPNNCOYQLZ-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)cc(c2c1cccc2)C
Properties
Complexity:
347
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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