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5452-75-5 | Ethyl 2-cyclohexylacetate
CAS No: 5452-75-5 Catalog No: AG003QEP MDL No:MFCD00001517
Product Description
Catalog Number:
AG003QEP
Chemical Name:
Ethyl 2-cyclohexylacetate
CAS Number:
5452-75-5
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00001517
IUPAC Name:
ethyl 2-cyclohexylacetate
InChI:
InChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChI Key:
ZBDAMDWKXGTKBT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCCCC1
EC Number:
226-695-2
UNII:
V36O028G9R
NSC Number:
18985
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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