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114191-16-1 | 1,3-Dioxane-4-pentanoic acid, 5-hydroxy-2-phenyl-, ethyl ester
CAS No: 114191-16-1 Catalog No: AG000ARD MDL No:
Product Description
Catalog Number:
AG000ARD
Chemical Name:
1,3-Dioxane-4-pentanoic acid, 5-hydroxy-2-phenyl-, ethyl ester
CAS Number:
114191-16-1
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
ethyl 5-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)pentanoate
InChI:
InChI=1S/C17H24O5/c1-2-20-16(19)11-7-6-10-15-14(18)12-21-17(22-15)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,2,6-7,10-12H2,1H3
InChI Key:
MTTOHHNFTHIZQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC1OC(OCC1O)c1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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