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86414-38-2 | Decanal, 4-methyl-, (S)-
CAS No: 86414-38-2 Catalog No: AG004R6H MDL No:
Product Description
Catalog Number:
AG004R6H
Chemical Name:
Decanal, 4-methyl-, (S)-
CAS Number:
86414-38-2
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
(4S)-4-methyldecanal
InChI:
InChI=1S/C11H22O/c1-3-4-5-6-8-11(2)9-7-10-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChI Key:
UASJZAYRKLUVLT-NSHDSACASA-N
SMILES:
CCCCCC[C@@H](CCC=O)C
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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