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127697-00-1 | 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-9-acetic acid, 2,3,6,7-tetrahydro-11-oxo-, hydrazide
CAS No: 127697-00-1 Catalog No: AG000XAO MDL No:
Product Description
Catalog Number:
AG000XAO
Chemical Name:
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-9-acetic acid, 2,3,6,7-tetrahydro-11-oxo-, hydrazide
CAS Number:
127697-00-1
Molecular Formula:
C17H19N3O3
Molecular Weight:
313.3511
IUPAC Name:
2-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-6-yl)acetohydrazide
InChI:
InChI=1S/C17H19N3O3/c18-19-14(21)8-11-9-15(22)23-17-12-4-2-6-20-5-1-3-10(16(12)20)7-13(11)17/h7,9H,1-6,8,18H2,(H,19,21)
InChI Key:
MMYAVWZNGNMDBG-UHFFFAOYSA-N
SMILES:
NNC(=O)Cc1cc(=O)oc2c1cc1CCCN3c1c2CCC3
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.357g/mol
Monoisotopic Mass:
313.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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