200,000+ products from a single source!
sales@angenechem.com
4591-55-3 | Dimethyl Pyridine-3,5-Dicarboxylate
CAS No: 4591-55-3 Catalog No: AG0038PD MDL No:MFCD00518827
Product Description
Catalog Number:
AG0038PD
Chemical Name:
Dimethyl Pyridine-3,5-Dicarboxylate
CAS Number:
4591-55-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00518827
IUPAC Name:
dimethyl pyridine-3,5-dicarboxylate
InChI:
InChI=1S/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h3-5H,1-2H3
InChI Key:
HDTNLHHNQYBOHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)C(=O)OC
EC Number:
224-981-1
NSC Number:
403260
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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
Featured Products
© 2019 Angene International Limited. All rights Reserved.