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1019995-18-6 | 1H-Pyrido[4,3-b]azepine-4-carboxylic acid, 2,3-dihydro-5-hydroxy-2-oxo-, ethyl ester
CAS No: 1019995-18-6 Catalog No: AG00067R MDL No:
Product Description
Catalog Number:
AG00067R
Chemical Name:
1H-Pyrido[4,3-b]azepine-4-carboxylic acid, 2,3-dihydro-5-hydroxy-2-oxo-, ethyl ester
CAS Number:
1019995-18-6
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
ethyl 5-hydroxy-2-oxo-1,3-dihydropyrido[4,3-b]azepine-4-carboxylate
InChI:
InChI=1S/C12H12N2O4/c1-2-18-12(17)7-5-10(15)14-9-3-4-13-6-8(9)11(7)16/h3-4,6,16H,2,5H2,1H3,(H,14,15)
InChI Key:
BUEJYPBMAFVGNW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(O)c2cnccc2NC(=O)C1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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