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Home > Indoles and Oxindole > 361179-31-9
361179-31-9 | 3-(6,6-DIMETHYL-3-OXOTETRAHYDRO-2H-PYRAN-2-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-ONE
CAS No: 361179-31-9 Catalog No: AG007BDS MDL No:MFCD01988588
Product Description
Catalog Number:
AG007BDS
Chemical Name:
3-(6,6-DIMETHYL-3-OXOTETRAHYDRO-2H-PYRAN-2-YL)-3-HYDROXY-1,3-DIHYDRO-2H-INDOL-2-ONE
CAS Number:
361179-31-9
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD01988588
IUPAC Name:
3-(6,6-dimethyl-3-oxooxan-2-yl)-3-hydroxy-1H-indol-2-one
InChI:
InChI=1S/C15H17NO4/c1-14(2)8-7-11(17)12(20-14)15(19)9-5-3-4-6-10(9)16-13(15)18/h3-6,12,19H,7-8H2,1-2H3,(H,16,18)
InChI Key:
QXTJREVNZXWUPV-UHFFFAOYSA-N
SMILES:
O=C1CCC(OC1C1(O)C(=O)Nc2c1cccc2)(C)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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