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145277-41-4 | Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, butyl ester
CAS No: 145277-41-4 Catalog No: AG001KQY MDL No:
Product Description
Catalog Number:
AG001KQY
Chemical Name:
Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, butyl ester
CAS Number:
145277-41-4
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
butyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
InChI:
InChI=1S/C12H22O2/c1-6-7-8-14-10(13)9-11(2,3)12(9,4)5/h9H,6-8H2,1-5H3
InChI Key:
JKACFGQSIVMVAQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1C(C1(C)C)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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