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25961-90-4 | 1-Propanol, 2-(2-phenoxypropoxy)-
CAS No: 25961-90-4 Catalog No: AG002R6X MDL No:
Product Description
Catalog Number:
AG002R6X
Chemical Name:
1-Propanol, 2-(2-phenoxypropoxy)-
CAS Number:
25961-90-4
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
2-(2-phenoxypropoxy)propan-1-ol
InChI:
InChI=1S/C12H18O3/c1-10(8-13)14-9-11(2)15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChI Key:
LCVQGUBLIVKPAI-UHFFFAOYSA-N
SMILES:
OCC(OCC(Oc1ccccc1)C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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