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Home > Indoles and Oxindole > 296793-35-6
296793-35-6 | 3-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CAS No: 296793-35-6 Catalog No: AG00I5HW MDL No:MFCD01429164
Product Description
Catalog Number:
AG00I5HW
Chemical Name:
3-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CAS Number:
296793-35-6
Molecular Formula:
C18H15NO5
Molecular Weight:
325.3154
MDL Number:
MFCD01429164
IUPAC Name:
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
InChI:
InChI=1S/C18H15NO5/c20-14(11-5-6-15-16(9-11)24-8-7-23-15)10-18(22)12-3-1-2-4-13(12)19-17(18)21/h1-6,9,22H,7-8,10H2,(H,19,21)
InChI Key:
XXUMSPRRHBNRSR-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(O)CC(=O)c1ccc3c(c1)OCCO3)cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.32g/mol
Monoisotopic Mass:
325.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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