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120051-31-2 | Decanal, 2-hexyl-3-hydroxy-
CAS No: 120051-31-2 Catalog No: AG000Q7H MDL No:
Product Description
Catalog Number:
AG000Q7H
Chemical Name:
Decanal, 2-hexyl-3-hydroxy-
CAS Number:
120051-31-2
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
IUPAC Name:
2-hexyl-3-hydroxydecanal
InChI:
InChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(18)15(14-17)12-10-8-6-4-2/h14-16,18H,3-13H2,1-2H3
InChI Key:
LSHBKDIMAGRTOT-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C(CCCCCC)C=O)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.24g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.43g/mol
Monoisotopic Mass:
256.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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