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78137-46-9 | 2-ETHYLHEXANE-1,2,3-TRIOL
CAS No: 78137-46-9 Catalog No: AG0054Z4 MDL No:
Product Description
Catalog Number:
AG0054Z4
Chemical Name:
2-ETHYLHEXANE-1,2,3-TRIOL
CAS Number:
78137-46-9
Molecular Formula:
C8H18O3
Molecular Weight:
162.2267
IUPAC Name:
2-ethylhexane-1,2,3-triol
InChI:
InChI=1S/C8H18O3/c1-3-5-7(10)8(11,4-2)6-9/h7,9-11H,3-6H2,1-2H3
InChI Key:
REWWIIBUGWWCGY-UHFFFAOYSA-N
SMILES:
CCCC(C(CO)(CC)O)O
EC Number:
278-848-8
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.229g/mol
Monoisotopic Mass:
162.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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