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139623-67-9 | Cyclopentanenonanoic acid, 2-butyl-, trans- (9CI)
CAS No: 139623-67-9 Catalog No: AG001BF7 MDL No:
Product Description
Catalog Number:
AG001BF7
Chemical Name:
Cyclopentanenonanoic acid, 2-butyl-, trans- (9CI)
CAS Number:
139623-67-9
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
9-(2-butylcyclopentyl)nonanoic acid
InChI:
InChI=1S/C18H34O2/c1-2-3-11-16-13-10-14-17(16)12-8-6-4-5-7-9-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
InChI Key:
WCZZGLDPRWILBA-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CCC[C@H]1CCCCCCCCC(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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