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114273-70-0 | Propanoic acid, 2,2-dimethyl-, 5-hydroxy-4,4-dimethylpentyl ester
CAS No: 114273-70-0 Catalog No: AG000AXV MDL No:
Product Description
Catalog Number:
AG000AXV
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 5-hydroxy-4,4-dimethylpentyl ester
CAS Number:
114273-70-0
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
(5-hydroxy-4,4-dimethylpentyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C12H24O3/c1-11(2,3)10(14)15-8-6-7-12(4,5)9-13/h13H,6-9H2,1-5H3
InChI Key:
UILJQUIMPMSLDX-UHFFFAOYSA-N
SMILES:
OCC(CCCOC(=O)C(C)(C)C)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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