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501411-06-9 | 4H-[1,2,5]Oxadiazino[5,4-a]indol-4-one, 8-methoxy-1-methyl-
CAS No: 501411-06-9 Catalog No: AG006VUK MDL No:
Product Description
Catalog Number:
AG006VUK
Chemical Name:
4H-[1,2,5]Oxadiazino[5,4-a]indol-4-one, 8-methoxy-1-methyl-
CAS Number:
501411-06-9
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
8-methoxy-1-methyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
InChI:
InChI=1S/C12H10N2O3/c1-7-11-6-8-5-9(16-2)3-4-10(8)14(11)12(15)17-13-7/h3-6H,1-2H3
InChI Key:
CNYDBWPXQVBEFC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc1n2c(=O)onc1C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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