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127286-31-1 | 2-cyclopropyl-1,4-dihydroquinolin-4-one
CAS No: 127286-31-1 Catalog No: AG01C8FE MDL No:MFCD18337989
Product Description
Catalog Number:
AG01C8FE
Chemical Name:
2-cyclopropyl-1,4-dihydroquinolin-4-one
CAS Number:
127286-31-1
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD18337989
IUPAC Name:
2-cyclopropyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H11NO/c14-12-7-11(8-5-6-8)13-10-4-2-1-3-9(10)12/h1-4,7-8H,5-6H2,(H,13,14)
InChI Key:
RNOILIZGNHABIB-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2c1cccc2)C1CC1
Properties
Complexity:
291
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:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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