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191675-69-1 | 1H-Indole-3-acetic acid, 4-ethoxy-
CAS No: 191675-69-1 Catalog No: AG002FET MDL No:MFCD18809122
Product Description
Catalog Number:
AG002FET
Chemical Name:
1H-Indole-3-acetic acid, 4-ethoxy-
CAS Number:
191675-69-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD18809122
IUPAC Name:
2-(4-ethoxy-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C12H13NO3/c1-2-16-10-5-3-4-9-12(10)8(7-13-9)6-11(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
InChI Key:
FGDBZHCLFNFJAG-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1c(c[nH]2)CC(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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