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Home > Aldehydes > 921221-27-4
921221-27-4 | 1,3-Dioxolane-4-carboxaldehyde, 5-[(benzoyloxy)methyl]-2,2-dimethyl-
CAS No: 921221-27-4 Catalog No: AG006IQN MDL No:
Product Description
Catalog Number:
AG006IQN
Chemical Name:
1,3-Dioxolane-4-carboxaldehyde, 5-[(benzoyloxy)methyl]-2,2-dimethyl-
CAS Number:
921221-27-4
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
IUPAC Name:
(5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl)methyl benzoate
InChI:
InChI=1S/C14H16O5/c1-14(2)18-11(8-15)12(19-14)9-17-13(16)10-6-4-3-5-7-10/h3-8,11-12H,9H2,1-2H3
InChI Key:
IWFWCPBTGWIHGD-UHFFFAOYSA-N
SMILES:
O=CC1OC(OC1COC(=O)c1ccccc1)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.277g/mol
Monoisotopic Mass:
264.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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