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87720-91-0 | 1,2-Octanediol, (2S)-
CAS No: 87720-91-0 Catalog No: AG004JCA MDL No:MFCD00798350
Product Description
Catalog Number:
AG004JCA
Chemical Name:
1,2-Octanediol, (2S)-
CAS Number:
87720-91-0
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD00798350
IUPAC Name:
(2S)-octane-1,2-diol
InChI:
InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m0/s1
InChI Key:
AEIJTFQOBWATKX-QMMMGPOBSA-N
SMILES:
CCCCCC[C@@H](CO)O
Properties
Complexity:
64.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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