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Home > Indoles and Oxindole > 140469-00-7
140469-00-7 | 1H-Isoxazolo[3,4-b]indole (9CI)
CAS No: 140469-00-7 Catalog No: AG001CHC MDL No:
Product Description
Catalog Number:
AG001CHC
Chemical Name:
1H-Isoxazolo[3,4-b]indole (9CI)
CAS Number:
140469-00-7
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
4H-[1,2]oxazolo[3,4-b]indole
InChI:
InChI=1S/C9H6N2O/c1-2-4-8-6(3-1)7-5-12-11-9(7)10-8/h1-5H,(H,10,11)
InChI Key:
XTDJYLXGFQTYHC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1co[nH]c1n2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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