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Home > Indoles and Oxindole > 129225-30-5
129225-30-5 | 1H-Indole, 3-oxiranyl-, (-)- (9CI)
CAS No: 129225-30-5 Catalog No: AG000YYL MDL No:
Product Description
Catalog Number:
AG000YYL
Chemical Name:
1H-Indole, 3-oxiranyl-, (-)- (9CI)
CAS Number:
129225-30-5
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
3-(oxiran-2-yl)-1H-indole
InChI:
InChI=1S/C10H9NO/c1-2-4-9-7(3-1)8(5-11-9)10-6-12-10/h1-5,10-11H,6H2
InChI Key:
NHIWCWBJAOXUBB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(c[nH]2)C1CO1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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