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114214-83-4 | Propanoic acid, 2-hydroxy-2-methyl-, 2-ethylhexyl ester
CAS No: 114214-83-4 Catalog No: AG000AU6 MDL No:
Product Description
Catalog Number:
AG000AU6
Chemical Name:
Propanoic acid, 2-hydroxy-2-methyl-, 2-ethylhexyl ester
CAS Number:
114214-83-4
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
2-ethylhexyl 2-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C12H24O3/c1-5-7-8-10(6-2)9-15-11(13)12(3,4)14/h10,14H,5-9H2,1-4H3
InChI Key:
DBJWNMUIBGYRLJ-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C(O)(C)C)CC
Properties
Complexity:
187
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:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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