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1617-38-5 | Pentanoic acid, 2-hydroxy-2-methyl-, ethyl ester
CAS No: 1617-38-5 Catalog No: AG001VTF MDL No:
Product Description
Catalog Number:
AG001VTF
Chemical Name:
Pentanoic acid, 2-hydroxy-2-methyl-, ethyl ester
CAS Number:
1617-38-5
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
ethyl 2-hydroxy-2-methylpentanoate
InChI:
InChI=1S/C8H16O3/c1-4-6-8(3,10)7(9)11-5-2/h10H,4-6H2,1-3H3
InChI Key:
WDQTTWGTXROJGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCC)(O)C
Properties
Complexity:
133
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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