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15972-01-7 | Cyclohexanebutanoic acid, methyl ester
CAS No: 15972-01-7 Catalog No: AG001RD0 MDL No:
Product Description
Catalog Number:
AG001RD0
Chemical Name:
Cyclohexanebutanoic acid, methyl ester
CAS Number:
15972-01-7
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
methyl 4-cyclohexylbutanoate
InChI:
InChI=1S/C11H20O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChI Key:
NEHQSABBFMGRIG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC1CCCCC1
NSC Number:
71464
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:
3.7
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