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190064-87-0 | 4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-6-(hydroxymethyl)-2-methyl-
CAS No: 190064-87-0 Catalog No: AG002EAS MDL No:
Product Description
Catalog Number:
AG002EAS
Chemical Name:
4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-6-(hydroxymethyl)-2-methyl-
CAS Number:
190064-87-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
3-ethyl-6-(hydroxymethyl)-2-methyl-1,5,6,7-tetrahydroindol-4-one
InChI:
InChI=1S/C12H17NO2/c1-3-9-7(2)13-10-4-8(6-14)5-11(15)12(9)10/h8,13-14H,3-6H2,1-2H3
InChI Key:
SCOXBRQBVREPFP-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)c2c(C1)[nH]c(c2CC)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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