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120020-41-9 | Cyclopentaneoctanoic acid, 3-oxo-2-pentyl-, methyl ester
CAS No: 120020-41-9 Catalog No: AG000Q3Y MDL No:
Product Description
Catalog Number:
AG000Q3Y
Chemical Name:
Cyclopentaneoctanoic acid, 3-oxo-2-pentyl-, methyl ester
CAS Number:
120020-41-9
Molecular Formula:
C19H34O3
Molecular Weight:
310.4715
IUPAC Name:
methyl 8-(3-oxo-2-pentylcyclopentyl)octanoate
InChI:
InChI=1S/C19H34O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h16-17H,3-15H2,1-2H3
InChI Key:
BUIQBWUKJHFEOQ-UHFFFAOYSA-N
SMILES:
CCCCCC1C(CCCCCCCC(=O)OC)CCC1=O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.478g/mol
Monoisotopic Mass:
310.251g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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