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DIM-C-pPhOCH3 50mg

CAT: 0628-A19708-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A19708-50Size:50 mg
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CAS Number
33985-68-1

Chemical Information

DIM-C-pPhOCH3
CAS Number33985-68-1
PubChem CID11371604
IUPAC Name3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole
Molecular FormulaC24H20N2O
Molecular Weight352.4
XLogP5.5
Topological Polar Surface Area40.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity457
SMILES
COC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C24H20N2O/c1-27-17-12-10-16(11-13-17)24(20-14-25-22-8-4-2-6-18(20)22)21-15-26-23-9-5-3-7-19(21)23/h2-15,24-26H,1H3
InChIKey
ZCCMKJAXOIFTHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DIM-C-pPhOCH3
CAS: 33985-68-1
CID: 11371604
Formula: C24H20N2O
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass352.157563266
Monoisotopic Mass352.157563266
Topological Polar Surface Area40.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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