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866417-39-2 | 1-Propanol, 2,3-bis[(12-methyltetradecyl)oxy]-, (2S)-
CAS No: 866417-39-2 Catalog No: AG004KXU MDL No:
Product Description
Catalog Number:
AG004KXU
Chemical Name:
1-Propanol, 2,3-bis[(12-methyltetradecyl)oxy]-, (2S)-
CAS Number:
866417-39-2
Molecular Formula:
C33H68O3
Molecular Weight:
512.8912
IUPAC Name:
(2S)-2,3-bis(12-methyltetradecoxy)propan-1-ol
InChI:
InChI=1S/C33H68O3/c1-5-31(3)25-21-17-13-9-7-11-15-19-23-27-35-30-33(29-34)36-28-24-20-16-12-8-10-14-18-22-26-32(4)6-2/h31-34H,5-30H2,1-4H3/t31?,32?,33-/m0/s1
InChI Key:
FHKTYFJBMRBCII-PJUZOBRJSA-N
SMILES:
OC[C@H](OCCCCCCCCCCCC(CC)C)COCCCCCCCCCCCC(CC)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
512.517g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
512.904g/mol
Monoisotopic Mass:
512.517g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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