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131266-10-9 | 1,3-Propanediol, 2-[2-(phenylmethoxy)ethyl]-, 1,3-diacetate
CAS No: 131266-10-9 Catalog No: AG000VTR MDL No:
Product Description
Catalog Number:
AG000VTR
Chemical Name:
1,3-Propanediol, 2-[2-(phenylmethoxy)ethyl]-, 1,3-diacetate
CAS Number:
131266-10-9
Molecular Formula:
C16H22O5
Molecular Weight:
294.3429
IUPAC Name:
[2-(acetyloxymethyl)-4-phenylmethoxybutyl] acetate
InChI:
InChI=1S/C16H22O5/c1-13(17)20-11-16(12-21-14(2)18)8-9-19-10-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
InChI Key:
BLAYUKYLAGRIMQ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(COC(=O)C)CCOCc1ccccc1
EC Number:
407-140-5
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.347g/mol
Monoisotopic Mass:
294.147g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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