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18267-36-2 | Butanoic acid, 3-hydroxy-3-methyl-, ethyl ester
CAS No: 18267-36-2 Catalog No: AG002421 MDL No:MFCD16749012
Product Description
Catalog Number:
AG002421
Chemical Name:
Butanoic acid, 3-hydroxy-3-methyl-, ethyl ester
CAS Number:
18267-36-2
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD16749012
IUPAC Name:
ethyl 3-hydroxy-3-methylbutanoate
InChI:
InChI=1S/C7H14O3/c1-4-10-6(8)5-7(2,3)9/h9H,4-5H2,1-3H3
InChI Key:
HKEDUIGHSRRIKD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(O)(C)C
EC Number:
242-147-5
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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