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88049-54-1 | Cyclopropanecarboxylic acid, 3-(hexyloxy)-2,2-dimethyl-
CAS No: 88049-54-1 Catalog No: AG004FP2 MDL No:
Product Description
Catalog Number:
AG004FP2
Chemical Name:
Cyclopropanecarboxylic acid, 3-(hexyloxy)-2,2-dimethyl-
CAS Number:
88049-54-1
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
3-hexoxy-2,2-dimethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H22O3/c1-4-5-6-7-8-15-10-9(11(13)14)12(10,2)3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChI Key:
CWLKWQKVBPADCR-UHFFFAOYSA-N
SMILES:
CCCCCCOC1C(C1(C)C)C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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