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137373-53-6 | Propanoic acid, 2,2-dimethyl-, (2-methyl-1-oxopropoxy)methyl ester
CAS No: 137373-53-6 Catalog No: AG00137K MDL No:
Product Description
Catalog Number:
AG00137K
Chemical Name:
Propanoic acid, 2,2-dimethyl-, (2-methyl-1-oxopropoxy)methyl ester
CAS Number:
137373-53-6
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
2-methylpropanoyloxymethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C10H18O4/c1-7(2)8(11)13-6-14-9(12)10(3,4)5/h7H,6H2,1-5H3
InChI Key:
ONAGARALWJJKBF-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCOC(=O)C(C)(C)C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| The role of intracellularly released formaldehyde and butyric acid in the anticancer activity of acyloxyalkyl esters. | Journal of medicinal chemistry 20050224 |
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