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14352-61-5 | Methyl 2-cyclohexylacetate
CAS No: 14352-61-5 Catalog No: AG003RZY MDL No:MFCD00001516
Product Description
Catalog Number:
AG003RZY
Chemical Name:
Methyl 2-cyclohexylacetate
CAS Number:
14352-61-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD00001516
IUPAC Name:
methyl 2-cyclohexylacetate
InChI:
InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChI Key:
IMXBRVLCKXGWSS-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCCCC1
EC Number:
700-789-8
NSC Number:
68511
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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