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114644-41-6 | Cyclopentanecarboxylic acid, 2-butyl-, methyl ester
CAS No: 114644-41-6 Catalog No: AG000EWD MDL No:
Product Description
Catalog Number:
AG000EWD
Chemical Name:
Cyclopentanecarboxylic acid, 2-butyl-, methyl ester
CAS Number:
114644-41-6
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
methyl 2-butylcyclopentane-1-carboxylate
InChI:
InChI=1S/C11H20O2/c1-3-4-6-9-7-5-8-10(9)11(12)13-2/h9-10H,3-8H2,1-2H3
InChI Key:
RWPCBZNZCVIVRQ-UHFFFAOYSA-N
SMILES:
CCCCC1CCCC1C(=O)OC
Properties
Complexity:
166
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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