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137839-04-4 | 1H-Indole-3-carboxylic acid, 3-oxo-1-cyclohexen-1-yl ester
CAS No: 137839-04-4 Catalog No: AG0013XQ MDL No:
Product Description
Catalog Number:
AG0013XQ
Chemical Name:
1H-Indole-3-carboxylic acid, 3-oxo-1-cyclohexen-1-yl ester
CAS Number:
137839-04-4
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
(3-oxocyclohexen-1-yl) 1H-indole-3-carboxylate
InChI:
InChI=1S/C15H13NO3/c17-10-4-3-5-11(8-10)19-15(18)13-9-16-14-7-2-1-6-12(13)14/h1-2,6-9,16H,3-5H2
InChI Key:
NUCIFZCKLVKRBE-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)OC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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