200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1190897-26-7
1190897-26-7 | 7H-Pyridazino[3,4-d]azepine-7-carboxylic acid, 2,3,5,6,8,9-hexahydro-3-oxo-, ethyl ester
CAS No: 1190897-26-7 Catalog No: AG000I5S MDL No:MFCD12756173
Product Description
Catalog Number:
AG000I5S
Chemical Name:
7H-Pyridazino[3,4-d]azepine-7-carboxylic acid, 2,3,5,6,8,9-hexahydro-3-oxo-, ethyl ester
CAS Number:
1190897-26-7
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD12756173
IUPAC Name:
ethyl 3-oxo-5,6,8,9-tetrahydro-2H-pyridazino[3,4-d]azepine-7-carboxylate
InChI:
InChI=1S/C11H15N3O3/c1-2-17-11(16)14-5-3-8-7-10(15)13-12-9(8)4-6-14/h7H,2-6H2,1H3,(H,13,15)
InChI Key:
NMPMZCGARURKBH-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCc2c(CC1)n[nH]c(=O)c2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.