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17131-24-7 | 3-(4-methylphenoxy)propane-1,2-diol
CAS No: 17131-24-7 Catalog No: AG003AJ3 MDL No:
Product Description
Catalog Number:
AG003AJ3
Chemical Name:
3-(4-methylphenoxy)propane-1,2-diol
CAS Number:
17131-24-7
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
3-(4-methylphenoxy)propane-1,2-diol
InChI:
InChI=1S/C10H14O3/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChI Key:
HEILYJUNOUXHJQ-UHFFFAOYSA-N
SMILES:
OCC(COc1ccc(cc1)C)O
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| p-Tolyl glycerol ether: is it possible to find more simple molecular organogelator with pronounced chirality driven properties? | Chemical communications (Cambridge, England) 20100528 |
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