200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 2060052-33-5
2060052-33-5 | 5-methoxy-8-methylisoquinoline-1-carbonitrile
CAS No: 2060052-33-5 Catalog No: AG01BX6B MDL No:MFCD30477799
Product Description
Catalog Number:
AG01BX6B
Chemical Name:
5-methoxy-8-methylisoquinoline-1-carbonitrile
CAS Number:
2060052-33-5
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD30477799
IUPAC Name:
5-methoxy-8-methylisoquinoline-1-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-8-3-4-11(15-2)9-5-6-14-10(7-13)12(8)9/h3-6H,1-2H3
InChI Key:
MKFNWEAJTKXMFY-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1ccnc2C#N)C
Properties
Complexity:
270
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.