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175732-05-5 | Pentanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester
CAS No: 175732-05-5 Catalog No: AG002154 MDL No:
Product Description
Catalog Number:
AG002154
Chemical Name:
Pentanoic acid, 3-hydroxy-2,2-dimethyl-, methyl ester
CAS Number:
175732-05-5
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
methyl 3-hydroxy-2,2-dimethylpentanoate
InChI:
InChI=1S/C8H16O3/c1-5-6(9)8(2,3)7(10)11-4/h6,9H,5H2,1-4H3
InChI Key:
XXBPJSRHIGCHNL-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)OC)(C)C)O
Properties
Complexity:
140
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:
1.3
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