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1556-30-5 | 4H-Quinolizine-3-carboxylic acid, 1-nitro-4-oxo-, ethyl ester
CAS No: 1556-30-5 Catalog No: AG001O1L MDL No:MFCD09788597
Product Description
Catalog Number:
AG001O1L
Chemical Name:
4H-Quinolizine-3-carboxylic acid, 1-nitro-4-oxo-, ethyl ester
CAS Number:
1556-30-5
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
MDL Number:
MFCD09788597
IUPAC Name:
ethyl 1-nitro-4-oxoquinolizine-3-carboxylate
InChI:
InChI=1S/C12H10N2O5/c1-2-19-12(16)8-7-10(14(17)18)9-5-3-4-6-13(9)11(8)15/h3-7H,2H2,1H3
InChI Key:
XUAURMWEQKYGBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([N+](=O)[O-])c2n(c1=O)cccc2
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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