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1026891-74-6 | Acetic acid, 2-(1H-indol-4-yloxy)-, ethyl ester
CAS No: 1026891-74-6 Catalog No: AG00084G MDL No:
Product Description
Catalog Number:
AG00084G
Chemical Name:
Acetic acid, 2-(1H-indol-4-yloxy)-, ethyl ester
CAS Number:
1026891-74-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
ethyl 2-(1H-indol-4-yloxy)acetate
InChI:
InChI=1S/C12H13NO3/c1-2-15-12(14)8-16-11-5-3-4-10-9(11)6-7-13-10/h3-7,13H,2,8H2,1H3
InChI Key:
OGYYWFFUARJZKP-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cccc2c1cc[nH]2
Properties
Complexity:
244
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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