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116709-46-7 | Propanoic acid, 2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenoxy]-
CAS No: 116709-46-7 Catalog No: AG000D4T MDL No:
Product Description
Catalog Number:
AG000D4T
Chemical Name:
Propanoic acid, 2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenoxy]-
CAS Number:
116709-46-7
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
InChI:
InChI=1S/C17H15NO4/c1-11(17(20)21)22-14-8-6-13(7-9-14)18-10-12-4-2-3-5-15(12)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
InChI Key:
AAUMOLNCGADNKU-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1)N1Cc2c(C1=O)cccc2)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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