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Home > Indoles and Oxindole > 261163-69-3
261163-69-3 | Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-
CAS No: 261163-69-3 Catalog No: AG002RQC MDL No:
Product Description
Catalog Number:
AG002RQC
Chemical Name:
Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-
CAS Number:
261163-69-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
3-hydroxy-7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-5,8-dione
InChI:
InChI=1S/C12H11NO3/c1-5-4-8(15)11-9(12(5)16)6-2-3-7(14)10(6)13-11/h4,7,13-14H,2-3H2,1H3
InChI Key:
GPFZOPSRKNDAIV-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)c2c(C1=O)c1CCC(c1[nH]2)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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