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Home > Indoles and Oxindole > 730918-59-9
730918-59-9 | 1H-Benz[e]isoindole-6,7-diol, 2,3,3a,4,5,9b-hexahydro- (9CI)
CAS No: 730918-59-9 Catalog No: AG005Y8Z MDL No:
Product Description
Catalog Number:
AG005Y8Z
Chemical Name:
1H-Benz[e]isoindole-6,7-diol, 2,3,3a,4,5,9b-hexahydro- (9CI)
CAS Number:
730918-59-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole-6,7-diol
InChI:
InChI=1S/C12H15NO2/c14-11-4-3-8-9(12(11)15)2-1-7-5-13-6-10(7)8/h3-4,7,10,13-15H,1-2,5-6H2
InChI Key:
SMQNEFRMAZRXLX-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1O)CCC1C2CNC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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