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289040-80-8 | Propanoic acid, 3-hydroxy-2-methyl-, 1,1-dimethylethyl ester
CAS No: 289040-80-8 Catalog No: AG002X0U MDL No:
Product Description
Catalog Number:
AG002X0U
Chemical Name:
Propanoic acid, 3-hydroxy-2-methyl-, 1,1-dimethylethyl ester
CAS Number:
289040-80-8
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
tert-butyl 3-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C8H16O3/c1-6(5-9)7(10)11-8(2,3)4/h6,9H,5H2,1-4H3
InChI Key:
NMSFJYDCOHOLAA-UHFFFAOYSA-N
SMILES:
OCC(C(=O)OC(C)(C)C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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