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16537-05-6 | Cyclohexanecarboxylic acid, 1,1-dimethylethyl ester
CAS No: 16537-05-6 Catalog No: AG001W3G MDL No:
Product Description
Catalog Number:
AG001W3G
Chemical Name:
Cyclohexanecarboxylic acid, 1,1-dimethylethyl ester
CAS Number:
16537-05-6
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
tert-butyl cyclohexanecarboxylate
InChI:
InChI=1S/C11H20O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChI Key:
WFYWVWNFVSGLFT-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)OC(C)(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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