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1551-43-5 | Cyclohexyl valerate
CAS No: 1551-43-5 Catalog No: AG0034NN MDL No:
Product Description
Catalog Number:
AG0034NN
Chemical Name:
Cyclohexyl valerate
CAS Number:
1551-43-5
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
cyclohexyl pentanoate
InChI:
InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChI Key:
YLCHTSSXNSNXSW-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC1CCCCC1
EC Number:
216-289-3
NSC Number:
53957
Properties
Complexity:
148
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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