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66635-61-8 | 1-(3-Methylquinolin-2-yl)ethanone
CAS No: 66635-61-8 Catalog No: AG006JM4 MDL No:MFCD27923160
Product Description
Catalog Number:
AG006JM4
Chemical Name:
1-(3-Methylquinolin-2-yl)ethanone
CAS Number:
66635-61-8
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD27923160
IUPAC Name:
1-(3-methylquinolin-2-yl)ethanone
InChI:
InChI=1S/C12H11NO/c1-8-7-10-5-3-4-6-11(10)13-12(8)9(2)14/h3-7H,1-2H3
InChI Key:
IBRHAUKCIVTPGX-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc2ccccc2cc1C
NSC Number:
138375
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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