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90137-21-6 | 1,3-Dioxolane-4-carboxaldehyde, 2,2,5,5-tetramethyl-
CAS No: 90137-21-6 Catalog No: AG006ITG MDL No:
Product Description
Catalog Number:
AG006ITG
Chemical Name:
1,3-Dioxolane-4-carboxaldehyde, 2,2,5,5-tetramethyl-
CAS Number:
90137-21-6
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
2,2,5,5-tetramethyl-1,3-dioxolane-4-carbaldehyde
InChI:
InChI=1S/C8H14O3/c1-7(2)6(5-9)10-8(3,4)11-7/h5-6H,1-4H3
InChI Key:
XJLDRHDSLAHIFD-UHFFFAOYSA-N
SMILES:
O=CC1OC(OC1(C)C)(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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