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Home > Indoles and Oxindole > 647009-31-2
647009-31-2 | 1H-Indole-2-methanol, 1-acetyl-2,3-dihydro-4,6-dimethyl-
CAS No: 647009-31-2 Catalog No: AG00H8SY MDL No:
Product Description
Catalog Number:
AG00H8SY
Chemical Name:
1H-Indole-2-methanol, 1-acetyl-2,3-dihydro-4,6-dimethyl-
CAS Number:
647009-31-2
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
1-[2-(hydroxymethyl)-4,6-dimethyl-2,3-dihydroindol-1-yl]ethanone
InChI:
InChI=1S/C13H17NO2/c1-8-4-9(2)12-6-11(7-15)14(10(3)16)13(12)5-8/h4-5,11,15H,6-7H2,1-3H3
InChI Key:
ASLVGNYURDNGMH-UHFFFAOYSA-N
SMILES:
OCC1Cc2c(N1C(=O)C)cc(cc2C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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