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28857-99-0 | 1H-Indene-2-carboxamide, 2,3-dihydro-1-(1-methylethyl)-3-oxo-
CAS No: 28857-99-0 Catalog No: AG002WV4 MDL No:
Product Description
Catalog Number:
AG002WV4
Chemical Name:
1H-Indene-2-carboxamide, 2,3-dihydro-1-(1-methylethyl)-3-oxo-
CAS Number:
28857-99-0
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-oxo-1-propan-2-yl-1,2-dihydroindene-2-carboxamide
InChI:
InChI=1S/C13H15NO2/c1-7(2)10-8-5-3-4-6-9(8)12(15)11(10)13(14)16/h3-7,10-11H,1-2H3,(H2,14,16)
InChI Key:
WZBUQAGZTHTMEN-UHFFFAOYSA-N
SMILES:
NC(=O)C1C(C(C)C)c2c(C1=O)cccc2
NSC Number:
108759
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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