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110453-78-6 | (S)-6-Methyloctan-1-ol
CAS No: 110453-78-6 Catalog No: AG003CHL MDL No:MFCD00221493
Product Description
Catalog Number:
AG003CHL
Chemical Name:
(S)-6-Methyloctan-1-ol
CAS Number:
110453-78-6
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
MDL Number:
MFCD00221493
IUPAC Name:
(6S)-6-methyloctan-1-ol
InChI:
InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChI Key:
WWRGKAMABZHMCN-VIFPVBQESA-N
SMILES:
OCCCCC[C@H](CC)C
Properties
Complexity:
61.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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