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62245-12-9 | 6-acetyl-1,2,3,4-tetrahydroquinolin-2-one
CAS No: 62245-12-9 Catalog No: AG00EMSE MDL No:MFCD09034969
Product Description
Catalog Number:
AG00EMSE
Chemical Name:
6-acetyl-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
62245-12-9
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD09034969
IUPAC Name:
6-acetyl-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C11H11NO2/c1-7(13)8-2-4-10-9(6-8)3-5-11(14)12-10/h2,4,6H,3,5H2,1H3,(H,12,14)
InChI Key:
FXPPYJRCOQZMIL-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)C(=O)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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