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25420-48-8 | 1(2H)-Quinolinepropanenitrile,2-oxo-(9CI)
CAS No: 25420-48-8 Catalog No: AG00BU17 MDL No:
Product Description
Catalog Number:
AG00BU17
Chemical Name:
1(2H)-Quinolinepropanenitrile,2-oxo-(9CI)
CAS Number:
25420-48-8
IUPAC Name:
3-(2-oxoquinolin-1-yl)propanenitrile
InChI:
InChI=1S/C12H10N2O/c13-8-3-9-14-11-5-2-1-4-10(11)6-7-12(14)15/h1-2,4-7H,3,9H2
InChI Key:
BERHAXSVTSSRFY-UHFFFAOYSA-N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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