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190191-69-6 | 1,3-Dioxane-5-carboxylic acid, methyl ester
CAS No: 190191-69-6 Catalog No: AG002EDX MDL No:MFCD00457724
Product Description
Catalog Number:
AG002EDX
Chemical Name:
1,3-Dioxane-5-carboxylic acid, methyl ester
CAS Number:
190191-69-6
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
MDL Number:
MFCD00457724
IUPAC Name:
methyl 1,3-dioxane-5-carboxylate
InChI:
InChI=1S/C6H10O4/c1-8-6(7)5-2-9-4-10-3-5/h5H,2-4H2,1H3
InChI Key:
VLMXHXVWOSBWTO-UHFFFAOYSA-N
SMILES:
COC(=O)C1COCOC1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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