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Home > Indoles and Oxindole > 91486-85-0
91486-85-0 | [1,2]Diazepino[5,4-b]indol-4-ol, 3,6-dihydro-6-methyl-
CAS No: 91486-85-0 Catalog No: AG006LY0 MDL No:
Product Description
Catalog Number:
AG006LY0
Chemical Name:
[1,2]Diazepino[5,4-b]indol-4-ol, 3,6-dihydro-6-methyl-
CAS Number:
91486-85-0
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
6-methyl-2,3-dihydrodiazepino[5,4-b]indol-4-one
InChI:
InChI=1S/C12H11N3O/c1-15-10-5-3-2-4-8(10)9-7-13-14-12(16)6-11(9)15/h2-7,13H,1H3,(H,14,16)
InChI Key:
GWXWOHQZRDADEZ-UHFFFAOYSA-N
SMILES:
Oc1[nH]ncc2c(c1)n(C)c1c2cccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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