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Home > Indoles and Oxindole > 1368752-00-4
1368752-00-4 | 3-ETHYL-5-METHOXY-2,3-DIHYDRO-1H-INDOLE
CAS No: 1368752-00-4 Catalog No: AG01BP7V MDL No:MFCD21876974
Product Description
Catalog Number:
AG01BP7V
Chemical Name:
3-ETHYL-5-METHOXY-2,3-DIHYDRO-1H-INDOLE
CAS Number:
1368752-00-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD21876974
IUPAC Name:
3-ethyl-5-methoxy-2,3-dihydro-1H-indole
InChI:
InChI=1S/C11H15NO/c1-3-8-7-12-11-5-4-9(13-2)6-10(8)11/h4-6,8,12H,3,7H2,1-2H3
InChI Key:
LZHZICODRWRNTB-UHFFFAOYSA-N
SMILES:
CCC1CNc2c1cc(OC)cc2
Properties
Complexity:
172
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:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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