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Home > Indoles and Oxindole > 14384-39-5
14384-39-5 | Azepino[3,4-b]indol-1(2H)-one, 3,4,5,10-tetrahydro-
CAS No: 14384-39-5 Catalog No: AG001IH2 MDL No:
Product Description
Catalog Number:
AG001IH2
Chemical Name:
Azepino[3,4-b]indol-1(2H)-one, 3,4,5,10-tetrahydro-
CAS Number:
14384-39-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one
InChI:
InChI=1S/C12H12N2O/c15-12-11-9(5-3-7-13-12)8-4-1-2-6-10(8)14-11/h1-2,4,6,14H,3,5,7H2,(H,13,15)
InChI Key:
IDZICIGFFQFQKB-UHFFFAOYSA-N
SMILES:
O=C1NCCCc2c1[nH]c1c2cccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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