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13836-62-9 | Propanoic acid, 2-methoxy-2-methyl-
CAS No: 13836-62-9 Catalog No: AG0018NM MDL No:MFCD07787581
Product Description
Catalog Number:
AG0018NM
Chemical Name:
Propanoic acid, 2-methoxy-2-methyl-
CAS Number:
13836-62-9
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD07787581
IUPAC Name:
2-methoxy-2-methylpropanoic acid
InChI:
InChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)
InChI Key:
BKBZFJRHYSCZQA-UHFFFAOYSA-N
SMILES:
COC(C(=O)O)(C)C
Properties
Complexity:
95.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Advanced oxidation and reduction process chemistry of methyl tert-butyl ether (MTBE) reaction intermediates in aqueous solution: 2-methoxy-2-methyl-propanal, 2-methoxy-2-methyl-propanol, and 2-methoxy-2-methyl-propanoic acid. | Chemosphere 20091101 |
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