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544453-01-2 | Quinoline, 1-(cyanoacetyl)-1,2,3,4-tetrahydro- (9CI)
CAS No: 544453-01-2 Catalog No: AG00E89U MDL No:
Product Description
Catalog Number:
AG00E89U
Chemical Name:
Quinoline, 1-(cyanoacetyl)-1,2,3,4-tetrahydro- (9CI)
CAS Number:
544453-01-2
IUPAC Name:
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C12H12N2O/c13-8-7-12(15)14-9-3-5-10-4-1-2-6-11(10)14/h1-2,4,6H,3,5,7,9H2
InChI Key:
AEQUACOFJYWKHW-UHFFFAOYSA-N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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