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125555-78-4 | 1,2-Octadecanediol, (2S)-
CAS No: 125555-78-4 Catalog No: AG000NUU MDL No:MFCD00798348
Product Description
Catalog Number:
AG000NUU
Chemical Name:
1,2-Octadecanediol, (2S)-
CAS Number:
125555-78-4
Molecular Formula:
C18H38O2
Molecular Weight:
286.4931
MDL Number:
MFCD00798348
IUPAC Name:
(2S)-octadecane-1,2-diol
InChI:
InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3/t18-/m0/s1
InChI Key:
XWAMHGPDZOVVND-SFHVURJKSA-N
SMILES:
CCCCCCCCCCCCCCCC[C@@H](CO)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
286.287g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.5g/mol
Monoisotopic Mass:
286.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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