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88481-65-6 | 1,3-Dioxane-4-methanol, 2-phenyl-5-(2-propenyl)-
CAS No: 88481-65-6 Catalog No: AG0049I8 MDL No:
Product Description
Catalog Number:
AG0049I8
Chemical Name:
1,3-Dioxane-4-methanol, 2-phenyl-5-(2-propenyl)-
CAS Number:
88481-65-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
InChI:
InChI=1S/C14H18O3/c1-2-6-12-10-16-14(17-13(12)9-15)11-7-4-3-5-8-11/h2-5,7-8,12-15H,1,6,9-10H2
InChI Key:
JQFDEOHWUNUSCU-UHFFFAOYSA-N
SMILES:
C=CCC1COC(OC1CO)c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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