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4241-13-8 | 2-OXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
CAS No: 4241-13-8 Catalog No: AG00C0TJ MDL No:MFCD00971266
Product Description
Catalog Number:
AG00C0TJ
Chemical Name:
2-OXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
CAS Number:
4241-13-8
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00971266
IUPAC Name:
2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
InChI Key:
JSLZOLIKGOFOOE-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CCCCc2[nH]c1=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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