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Home > Indoles and Oxindole > 85814-30-8
85814-30-8 | Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-hydroxy-
CAS No: 85814-30-8 Catalog No: AG004RBU MDL No:
Product Description
Catalog Number:
AG004RBU
Chemical Name:
Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-hydroxy-
CAS Number:
85814-30-8
Molecular Formula:
C16H9NO4
Molecular Weight:
279.2470
IUPAC Name:
14-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
InChI:
InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19)
InChI Key:
OVACCXPNQSWBBB-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1cc1[nH]c(=O)c3c1c2c1OCOc1c3
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.251g/mol
Monoisotopic Mass:
279.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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