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Home > Indoles and Oxindole > 87066-85-1
87066-85-1 | 3H-Indol-3-one, 1-acetyl-1,2-dihydro-2-methoxy-
CAS No: 87066-85-1 Catalog No: AG004JDF MDL No:
Product Description
Catalog Number:
AG004JDF
Chemical Name:
3H-Indol-3-one, 1-acetyl-1,2-dihydro-2-methoxy-
CAS Number:
87066-85-1
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
1-acetyl-2-methoxy-2H-indol-3-one
InChI:
InChI=1S/C11H11NO3/c1-7(13)12-9-6-4-3-5-8(9)10(14)11(12)15-2/h3-6,11H,1-2H3
InChI Key:
WFXSQCCFTHSZRC-UHFFFAOYSA-N
SMILES:
COC1N(C(=O)C)c2c(C1=O)cccc2
NSC Number:
602885
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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