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Home > Indoles and Oxindole > 127797-17-5
127797-17-5 | 1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
CAS No: 127797-17-5 Catalog No: AG01AC5S MDL No:MFCD21136821
Product Description
Catalog Number:
AG01AC5S
Chemical Name:
1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
CAS Number:
127797-17-5
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD21136821
IUPAC Name:
1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C11H15NO/c1-13-7-6-11-10-5-3-2-4-9(10)8-12-11/h2-5,11-12H,6-8H2,1H3
InChI Key:
XZCIDTUVWRDVHS-UHFFFAOYSA-N
SMILES:
COCCC1NCc2c1cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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