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Home > Indoles and Oxindole > 68585-09-1
68585-09-1 | 7-hydroxy-3,7-dimethyloctanal- 3-methyl-1h-indole(1:1)
CAS No: 68585-09-1 Catalog No: AG006ICB MDL No:
Product Description
Catalog Number:
AG006ICB
Chemical Name:
7-hydroxy-3,7-dimethyloctanal- 3-methyl-1h-indole(1:1)
CAS Number:
68585-09-1
Molecular Formula:
C19H29NO2
Molecular Weight:
303.4391
IUPAC Name:
7-hydroxy-3,7-dimethyloctanal;3-methyl-1H-indole
InChI:
InChI=1S/C10H20O2.C9H9N/c1-9(6-8-11)5-4-7-10(2,3)12;1-7-6-10-9-5-3-2-4-8(7)9/h8-9,12H,4-7H2,1-3H3;2-6,10H,1H3
InChI Key:
JRYGGBWWIHPCIW-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c2c1cccc2.O=CCC(CCCC(O)(C)C)C
EC Number:
271-550-9
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.446g/mol
Monoisotopic Mass:
303.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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