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72793-38-5 | 1,3-Dioxane-5-carboxaldehyde, 2,2-dimethyl-4,6-dioxo-
CAS No: 72793-38-5 Catalog No: AG005F0I MDL No:
Product Description
Catalog Number:
AG005F0I
Chemical Name:
1,3-Dioxane-5-carboxaldehyde, 2,2-dimethyl-4,6-dioxo-
CAS Number:
72793-38-5
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
IUPAC Name:
2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carbaldehyde
InChI:
InChI=1S/C7H8O5/c1-7(2)11-5(9)4(3-8)6(10)12-7/h3-4H,1-2H3
InChI Key:
ZWKXHDRBTGHHLS-UHFFFAOYSA-N
SMILES:
O=CC1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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