200,000+ products from a single source!
sales@angenechem.com
31083-55-3 | 1H-Indene-1,3(2H)-dione, 2-(3-pyridinylmethylene)-
CAS No: 31083-55-3 Catalog No: AG00322F MDL No:MFCD00435709
Product Description
Catalog Number:
AG00322F
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(3-pyridinylmethylene)-
CAS Number:
31083-55-3
Molecular Formula:
C15H9NO2
Molecular Weight:
235.2375
MDL Number:
MFCD00435709
IUPAC Name:
2-(pyridin-3-ylmethylidene)indene-1,3-dione
InChI:
InChI=1S/C15H9NO2/c17-14-11-5-1-2-6-12(11)15(18)13(14)8-10-4-3-7-16-9-10/h1-9H
InChI Key:
OMHZFEWYVFWVLI-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2cccnc2)C(=O)c2c1cccc2
UNII:
J625FJL5DX
NSC Number:
600157
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.242g/mol
Monoisotopic Mass:
235.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.