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Home > Aldehydes > 131531-48-1
131531-48-1 | Benzaldehyde, 3-(5,5-dimethyl-1,3-dioxan-2-yl)-
CAS No: 131531-48-1 Catalog No: AG000ZCL MDL No:
Product Description
Catalog Number:
AG000ZCL
Chemical Name:
Benzaldehyde, 3-(5,5-dimethyl-1,3-dioxan-2-yl)-
CAS Number:
131531-48-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
3-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H16O3/c1-13(2)8-15-12(16-9-13)11-5-3-4-10(6-11)7-14/h3-7,12H,8-9H2,1-2H3
InChI Key:
JPKGEZXEQWVJRJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C1OCC(CO1)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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