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Home > Indoles and Oxindole > 112549-38-9
112549-38-9 | 1H-Indole, 2-ethylidene-2,3-dihydro-1,3,3-trimethyl-, (E)-
CAS No: 112549-38-9 Catalog No: AG0082CP MDL No:
Product Description
Catalog Number:
AG0082CP
Chemical Name:
1H-Indole, 2-ethylidene-2,3-dihydro-1,3,3-trimethyl-, (E)-
CAS Number:
112549-38-9
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-ethylidene-1,3,3-trimethylindole
InChI:
InChI=1S/C13H17N/c1-5-12-13(2,3)10-8-6-7-9-11(10)14(12)4/h5-9H,1-4H3
InChI Key:
UTFNTYAQBWEAEJ-UHFFFAOYSA-N
SMILES:
C/C=C\1/N(C)c2c(C1(C)C)cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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