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114259-16-4 | 1(3H)-Isobenzofuranone, 3-(diethylamino)-
CAS No: 114259-16-4 Catalog No: AG000AXJ MDL No:
Product Description
Catalog Number:
AG000AXJ
Chemical Name:
1(3H)-Isobenzofuranone, 3-(diethylamino)-
CAS Number:
114259-16-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
3-(diethylamino)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C12H15NO2/c1-3-13(4-2)11-9-7-5-6-8-10(9)12(14)15-11/h5-8,11H,3-4H2,1-2H3
InChI Key:
CNQFKWWTWRSRTN-UHFFFAOYSA-N
SMILES:
CCN(C1OC(=O)c2c1cccc2)CC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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