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68908-82-7 | Hydroxycitronellal, indole condensation products
CAS No: 68908-82-7 Catalog No: AG0060GC MDL No:
Product Description
Catalog Number:
AG0060GC
Chemical Name:
Hydroxycitronellal, indole condensation products
CAS Number:
68908-82-7
Molecular Formula:
C18H27NO2
Molecular Weight:
289.4125
IUPAC Name:
7-hydroxy-3,7-dimethyloctanal;1H-indole
InChI:
InChI=1S/C10H20O2.C8H7N/c1-9(6-8-11)5-4-7-10(2,3)12;1-2-4-8-7(3-1)5-6-9-8/h8-9,12H,4-7H2,1-3H3;1-6,9H
InChI Key:
NSBPKSMZAAJTFE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]cc2.O=CCC(CCCC(O)(C)C)C
EC Number:
272-683-5
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.419g/mol
Monoisotopic Mass:
289.204g/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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