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125349-05-5 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-hydroxybicyclo[2.2.1]hept-2-yl)oxy]-
CAS No: 125349-05-5 Catalog No: AG000NIT MDL No:
Product Description
Catalog Number:
AG000NIT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-hydroxybicyclo[2.2.1]hept-2-yl)oxy]-
CAS Number:
125349-05-5
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
2-[(3-hydroxy-2-bicyclo[2.2.1]heptanyl)oxy]isoindole-1,3-dione
InChI:
InChI=1S/C15H15NO4/c17-12-8-5-6-9(7-8)13(12)20-16-14(18)10-3-1-2-4-11(10)15(16)19/h1-4,8-9,12-13,17H,5-7H2
InChI Key:
NJVAJXJOGXARJC-UHFFFAOYSA-N
SMILES:
OC1C2CCC(C1ON1C(=O)c3c(C1=O)cccc3)C2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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