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89438-44-8 | 1H-Indazole-1-carboxylic acid, 2,3-dihydro-3-oxo-2-pentyl-, ethyl ester
CAS No: 89438-44-8 Catalog No: AG0043J5 MDL No:
Product Description
Catalog Number:
AG0043J5
Chemical Name:
1H-Indazole-1-carboxylic acid, 2,3-dihydro-3-oxo-2-pentyl-, ethyl ester
CAS Number:
89438-44-8
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
IUPAC Name:
ethyl 3-oxo-2-pentylindazole-1-carboxylate
InChI:
InChI=1S/C15H20N2O3/c1-3-5-8-11-16-14(18)12-9-6-7-10-13(12)17(16)15(19)20-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3
InChI Key:
ODRYYRMINYTDSQ-UHFFFAOYSA-N
SMILES:
CCCCCn1c(=O)c2c(n1C(=O)OCC)cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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