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17749-39-2 | 1H-Indene-1,3(2H)-dione, 2-(methylamino)-2-phenyl-
CAS No: 17749-39-2 Catalog No: AG0025CU MDL No:
Product Description
Catalog Number:
AG0025CU
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(methylamino)-2-phenyl-
CAS Number:
17749-39-2
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-(methylamino)-2-phenylindene-1,3-dione
InChI:
InChI=1S/C16H13NO2/c1-17-16(11-7-3-2-4-8-11)14(18)12-9-5-6-10-13(12)15(16)19/h2-10,17H,1H3
InChI Key:
GHEBRNVOODTQOO-UHFFFAOYSA-N
SMILES:
CNC1(c2ccccc2)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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