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113516-75-9 | Butanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
CAS No: 113516-75-9 Catalog No: AG0008UX MDL No:
Product Description
Catalog Number:
AG0008UX
Chemical Name:
Butanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
CAS Number:
113516-75-9
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
(2-phenyl-1,3-dioxan-5-yl) butanoate
InChI:
InChI=1S/C14H18O4/c1-2-6-13(15)18-12-9-16-14(17-10-12)11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChI Key:
KJZPGIUCDBIMNS-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC1COC(OC1)c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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