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88180-32-9 | 2,4-Pentadienal, 5-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-
CAS No: 88180-32-9 Catalog No: AG004EVK MDL No:
Product Description
Catalog Number:
AG004EVK
Chemical Name:
2,4-Pentadienal, 5-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-
CAS Number:
88180-32-9
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
5-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)penta-2,4-dienal
InChI:
InChI=1S/C15H16O4/c16-10-6-2-5-9-14-13(17)11-18-15(19-14)12-7-3-1-4-8-12/h1-10,13-15,17H,11H2
InChI Key:
NSQGERQDAZJNNB-UHFFFAOYSA-N
SMILES:
O=CC=CC=CC1OC(OCC1O)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
2
XLogP3:
1.1
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