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1559-39-3 | 2-Propanol, 1-[(2-ethylhexyl)oxy]-
CAS No: 1559-39-3 Catalog No: AG001OBT MDL No:
Product Description
Catalog Number:
AG001OBT
Chemical Name:
2-Propanol, 1-[(2-ethylhexyl)oxy]-
CAS Number:
1559-39-3
Molecular Formula:
C11H24O2
Molecular Weight:
188.3071
IUPAC Name:
1-(2-ethylhexoxy)propan-2-ol
InChI:
InChI=1S/C11H24O2/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-12H,4-9H2,1-3H3
InChI Key:
BTIMJGKRHNTHIU-UHFFFAOYSA-N
SMILES:
CCCCC(COCC(O)C)CC
EC Number:
216-324-2
NSC Number:
70017
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.311g/mol
Monoisotopic Mass:
188.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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