200,000+ products from a single source!
sales@angenechem.com
87988-14-5 | Oxepino[4,3-b]pyridine-7,8-dicarboxylic acid, 5-phenyl-, dimethyl ester
CAS No: 87988-14-5 Catalog No: AG004OU1 MDL No:
Product Description
Catalog Number:
AG004OU1
Chemical Name:
Oxepino[4,3-b]pyridine-7,8-dicarboxylic acid, 5-phenyl-, dimethyl ester
CAS Number:
87988-14-5
Molecular Formula:
C19H15NO5
Molecular Weight:
337.3261
IUPAC Name:
dimethyl 5-phenyloxepino[4,3-b]pyridine-7,8-dicarboxylate
InChI:
InChI=1S/C19H15NO5/c1-23-18(21)14-11-15-13(9-6-10-20-15)16(12-7-4-3-5-8-12)25-17(14)19(22)24-2/h3-11H,1-2H3
InChI Key:
BOOOPJZLATZCFV-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C=c2c(=C(O1)c1ccccc1)cccn2)C(=O)OC
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.331g/mol
Monoisotopic Mass:
337.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.