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20267-19-0 | Propanoic acid, 2,2-dimethyl-, 2-hydroxyethyl ester
CAS No: 20267-19-0 Catalog No: AG0028D4 MDL No:
Product Description
Catalog Number:
AG0028D4
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-hydroxyethyl ester
CAS Number:
20267-19-0
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
2-hydroxyethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C7H14O3/c1-7(2,3)6(9)10-5-4-8/h8H,4-5H2,1-3H3
InChI Key:
YMLMPWTWWZJGAZ-UHFFFAOYSA-N
SMILES:
OCCOC(=O)C(C)(C)C
Properties
Complexity:
113
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:
0.8
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