Home Carboxys 1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI)

1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI)

CAS No.:
507471-78-5
Catalog Number:
AG00DVIE
Molecular Formula:
C6H8O5
Molecular Weight:
160.1247
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Product Description
Catalog Number:
AG00DVIE
Chemical Name:
1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI)
CAS Number:
507471-78-5
Molecular Formula:
C6H8O5
Molecular Weight:
160.1247
MDL Number:
MFCD18805726
IUPAC Name:
5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid
InChI:
InChI=1S/C6H8O5/c1-6(4(7)8)2-10-5(9)11-3-6/h2-3H2,1H3,(H,7,8)
InChI Key:
VVVXQWXJTSMUBY-UHFFFAOYSA-N
SMILES:
O=C1OCC(CO1)(C)C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.037g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.125g/mol
Monoisotopic Mass:
160.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties