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78661-31-1 | Undecanal, 2-(8-hydroxyoctyl)-
CAS No: 78661-31-1 Catalog No: AG005K0L MDL No:
Product Description
Catalog Number:
AG005K0L
Chemical Name:
Undecanal, 2-(8-hydroxyoctyl)-
CAS Number:
78661-31-1
Molecular Formula:
C19H38O2
Molecular Weight:
298.5038
IUPAC Name:
2-(8-hydroxyoctyl)undecanal
InChI:
InChI=1S/C19H38O2/c1-2-3-4-5-6-9-12-15-19(18-21)16-13-10-7-8-11-14-17-20/h18-20H,2-17H2,1H3
InChI Key:
NFMAAHFVMVSSBX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CCCCCCCCO)C=O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.287g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.511g/mol
Monoisotopic Mass:
298.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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