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Home > Indoles and Oxindole > 94662-07-4
94662-07-4 | 1H-Isoindole-1,3(2H)-dione, 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-
CAS No: 94662-07-4 Catalog No: AG00698M MDL No:
Product Description
Catalog Number:
AG00698M
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-
CAS Number:
94662-07-4
Molecular Formula:
C17H14N2O6
Molecular Weight:
342.3029
IUPAC Name:
2-[2-hydroxy-3-(4-nitrophenoxy)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H14N2O6/c20-12(10-25-13-7-5-11(6-8-13)19(23)24)9-18-16(21)14-3-1-2-4-15(14)17(18)22/h1-8,12,20H,9-10H2
InChI Key:
SAYMGIWRNUDWED-UHFFFAOYSA-N
SMILES:
OC(CN1C(=O)c2c(C1=O)cccc2)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.307g/mol
Monoisotopic Mass:
342.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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