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Home > Indoles and Oxindole > 1388032-86-7
1388032-86-7 | 3-ETHYL-5-METHOXY-3-METHYL-2,3-DIHYDRO-1H-INDOLE
CAS No: 1388032-86-7 Catalog No: AG01BP7X MDL No:MFCD22561501
Product Description
Catalog Number:
AG01BP7X
Chemical Name:
3-ETHYL-5-METHOXY-3-METHYL-2,3-DIHYDRO-1H-INDOLE
CAS Number:
1388032-86-7
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD22561501
IUPAC Name:
3-ethyl-5-methoxy-3-methyl-1,2-dihydroindole
InChI:
InChI=1S/C12H17NO/c1-4-12(2)8-13-11-6-5-9(14-3)7-10(11)12/h5-7,13H,4,8H2,1-3H3
InChI Key:
KAQCDWUDGJVWMB-UHFFFAOYSA-N
SMILES:
CCC1(C)CNc2c1cc(OC)cc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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