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15840-96-7 | Cyclohexanecarboxylic acid, cyclohexyl ester
CAS No: 15840-96-7 Catalog No: AG001Q6B MDL No:MFCD20528371
Product Description
Catalog Number:
AG001Q6B
Chemical Name:
Cyclohexanecarboxylic acid, cyclohexyl ester
CAS Number:
15840-96-7
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
MDL Number:
MFCD20528371
IUPAC Name:
cyclohexyl cyclohexanecarboxylate
InChI:
InChI=1S/C13H22O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2
InChI Key:
VJCWGXGMXAVKJU-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)OC1CCCCC1
EC Number:
239-945-0
NSC Number:
406680
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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