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57771-94-5 | 6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbohydrazide
CAS No: 57771-94-5 Catalog No: AG00JCP0 MDL No:MFCD11705273
Product Description
Catalog Number:
AG00JCP0
Chemical Name:
6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbohydrazide
CAS Number:
57771-94-5
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD11705273
IUPAC Name:
9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carbohydrazide
InChI:
InChI=1S/C12H11N3O2/c13-14-12(17)9-6-15-5-4-7-2-1-3-8(10(7)15)11(9)16/h1-3,6H,4-5,13H2,(H,14,17)
InChI Key:
LSQUSHGNFAJCBJ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cn2CCc3c2c(c1=O)ccc3
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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