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87234-87-5 | 1H-Indole, 6-ethoxy-2,3-dihydro-3,3-dimethyl-
CAS No: 87234-87-5 Catalog No: AG004RI6 MDL No:MFCD20259853
Product Description
Catalog Number:
AG004RI6
Chemical Name:
1H-Indole, 6-ethoxy-2,3-dihydro-3,3-dimethyl-
CAS Number:
87234-87-5
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD20259853
IUPAC Name:
6-ethoxy-3,3-dimethyl-1,2-dihydroindole
InChI:
InChI=1S/C12H17NO/c1-4-14-9-5-6-10-11(7-9)13-8-12(10,2)3/h5-7,13H,4,8H2,1-3H3
InChI Key:
ITLRQEKXUKZTPG-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)NCC2(C)C
UNII:
VFT2T4K42S
Properties
Complexity:
203
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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