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1388049-36-2 | 4-Oxo-1,2,3,4-tetrahydroquinoline-6-carbonitrile
CAS No: 1388049-36-2 Catalog No: AG01DDC3 MDL No:MFCD22426026
Product Description
Catalog Number:
AG01DDC3
Chemical Name:
4-Oxo-1,2,3,4-tetrahydroquinoline-6-carbonitrile
CAS Number:
1388049-36-2
MDL Number:
MFCD22426026
IUPAC Name:
4-oxo-2,3-dihydro-1H-quinoline-6-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-6-7-1-2-9-8(5-7)10(13)3-4-12-9/h1-2,5,12H,3-4H2
InChI Key:
TXOYHNMZAVXDIM-UHFFFAOYSA-N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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