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(S)-Octan-2-ol

CAS No.:
6169-06-8
Catalog Number:
AG003CH1
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
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Product Description
Catalog Number:
AG003CH1
Chemical Name:
(S)-Octan-2-ol
CAS Number:
6169-06-8
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD00064283
IUPAC Name:
(2S)-octan-2-ol
InChI:
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChI Key:
SJWFXCIHNDVPSH-QMMMGPOBSA-N
SMILES:
CCCCCC[C@@H](O)C
EC Number:
228-213-6
UNII:
2855UV552L
Properties
Complexity:
52.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties