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164366-30-7 | Pyrido[1,2-a]azepine-1-carboxylic acid, 4,6,7,8,9,10-hexahydro-4-oxo-, ethyl ester
CAS No: 164366-30-7 Catalog No: AG001UU6 MDL No:
Product Description
Catalog Number:
AG001UU6
Chemical Name:
Pyrido[1,2-a]azepine-1-carboxylic acid, 4,6,7,8,9,10-hexahydro-4-oxo-, ethyl ester
CAS Number:
164366-30-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-2-17-13(16)10-7-8-12(15)14-9-5-3-4-6-11(10)14/h7-8H,2-6,9H2,1H3
InChI Key:
JEJAPOYCPLTZBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(=O)n2c1CCCCC2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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