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5-Methoxy-2-methylindoline Hydrochloride

CAT: 0926-RBA56827-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RBA56827-01Size:50 mg
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CAS Number
41568-27-8
MDL Number
MFCD16301091
Smiles
CC1CC2=C (N1) C=CC (=C2) OC
Molecular Formula
C10H13NO•HCl
Molecular Weight
163.22 g/mol
Controlled
No

Chemical Information

5-Methoxy-2-methyl-2,3-dihydro-1H-indole
CAS Number41568-27-8
PubChem CID10797090
IUPAC Name5-methoxy-2-methyl-2,3-dihydro-1H-indole
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP2.3
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1CC2=C(N1)C=CC(=C2)OC
InChI
InChI=1S/C10H13NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-4,6-7,11H,5H2,1-2H3
InChIKey
MKZAAOOSZBRZEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-2-methyl-2,3-dihydro-1H-indole
CAS: 41568-27-8
CID: 10797090
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes