200,000+ products from a single source!
sales@angenechem.com
87954-16-3 | 4-Isoquinolinecarbonitrile, 1-methoxy-
CAS No: 87954-16-3 Catalog No: AG008BY2 MDL No:
Product Description
Catalog Number:
AG008BY2
Chemical Name:
4-Isoquinolinecarbonitrile, 1-methoxy-
CAS Number:
87954-16-3
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
1-methoxyisoquinoline-4-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-11-10-5-3-2-4-9(10)8(6-12)7-13-11/h2-5,7H,1H3
InChI Key:
UUOLORNXABWKEA-UHFFFAOYSA-N
SMILES:
COc1ncc(c2c1cccc2)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:
2.1
Related Products
© 2019 Angene International Limited. All rights Reserved.