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88049-61-0 | Cyclopropanecarboxylic acid, 3-[(2-ethylhexyl)oxy]-2,2-dimethyl-
CAS No: 88049-61-0 Catalog No: AG004FP1 MDL No:
Product Description
Catalog Number:
AG004FP1
Chemical Name:
Cyclopropanecarboxylic acid, 3-[(2-ethylhexyl)oxy]-2,2-dimethyl-
CAS Number:
88049-61-0
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
3-(2-ethylhexoxy)-2,2-dimethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C14H26O3/c1-5-7-8-10(6-2)9-17-12-11(13(15)16)14(12,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChI Key:
ACHYTZWUJUWATI-UHFFFAOYSA-N
SMILES:
CCCCC(COC1C(C1(C)C)C(=O)O)CC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.359g/mol
Monoisotopic Mass:
242.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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