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71083-53-9 | 8-Methoxy-3-quinolinecarbonitrile
CAS No: 71083-53-9 Catalog No: AG00FGLR MDL No:MFCD19440753
Product Description
Catalog Number:
AG00FGLR
Chemical Name:
8-Methoxy-3-quinolinecarbonitrile
CAS Number:
71083-53-9
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD19440753
IUPAC Name:
8-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-10-4-2-3-9-5-8(6-12)7-13-11(9)10/h2-5,7H,1H3
InChI Key:
OBYZRPNNWGILDV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ncc(c2)C#N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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