200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89111-42-2
89111-42-2 | 2-Phenanthrenecarbonitrile, 1,2,3,4-tetrahydro-7,9-dimethoxy-1-oxo-
CAS No: 89111-42-2 Catalog No: AG003ZT6 MDL No:
Product Description
Catalog Number:
AG003ZT6
Chemical Name:
2-Phenanthrenecarbonitrile, 1,2,3,4-tetrahydro-7,9-dimethoxy-1-oxo-
CAS Number:
89111-42-2
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
7,9-dimethoxy-1-oxo-3,4-dihydro-2H-phenanthrene-2-carbonitrile
InChI:
InChI=1S/C17H15NO3/c1-20-11-4-6-12-13-5-3-10(9-18)17(19)15(13)8-16(21-2)14(12)7-11/h4,6-8,10H,3,5H2,1-2H3
InChI Key:
VWGSPITULBVVPU-UHFFFAOYSA-N
SMILES:
N#CC1CCc2c(C1=O)cc(c1c2ccc(c1)OC)OC
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.