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25245-29-8 | 5-Iodo-1,2,3-trimethoxybenzene
CAS No: 25245-29-8 Catalog No: AG003MSY MDL No:MFCD01318153
Product Description
Catalog Number:
AG003MSY
Chemical Name:
5-Iodo-1,2,3-trimethoxybenzene
CAS Number:
25245-29-8
Molecular Formula:
C9H11IO3
Molecular Weight:
294.0863
MDL Number:
MFCD01318153
IUPAC Name:
5-iodo-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C9H11IO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3
InChI Key:
IWPMQXOVTMABLF-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)I
NSC Number:
169997
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.088g/mol
Monoisotopic Mass:
293.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 5-Meth-oxy-1-(3,4,5-trimethoxy-phen-yl)-1H-indole. | Acta crystallographica. Section E, Structure reports online 20100701 |
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