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144101-98-4 | 1,4-Dioxane-2-carboxylic acid, 2-methyl-
CAS No: 144101-98-4 Catalog No: AG001IXS MDL No:
Product Description
Catalog Number:
AG001IXS
Chemical Name:
1,4-Dioxane-2-carboxylic acid, 2-methyl-
CAS Number:
144101-98-4
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
2-methyl-1,4-dioxane-2-carboxylic acid
InChI:
InChI=1S/C6H10O4/c1-6(5(7)8)4-9-2-3-10-6/h2-4H2,1H3,(H,7,8)
InChI Key:
XONZAOSWJPPQKB-UHFFFAOYSA-N
SMILES:
CC1(COCCO1)C(=O)O
Properties
Complexity:
145
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:
1
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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