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87732-27-2 | 1H-Indol-3-ol, 1-ethyl-, acetate
CAS No: 87732-27-2 Catalog No: AG004GAK MDL No:
Product Description
Catalog Number:
AG004GAK
Chemical Name:
1H-Indol-3-ol, 1-ethyl-, acetate
CAS Number:
87732-27-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
acetic acid;1-ethylindol-3-ol
InChI:
InChI=1S/C10H11NO.C2H4O2/c1-2-11-7-10(12)8-5-3-4-6-9(8)11;1-2(3)4/h3-7,12H,2H2,1H3;1H3,(H,3,4)
InChI Key:
VYNIPTJWNGJGKI-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCn1cc(c2c1cccc2)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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