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Home > Other Building Blocks > 855433-08-8
855433-08-8 | Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-, (2S,3R)-
CAS No: 855433-08-8 Catalog No: AG004R2Z MDL No:
Product Description
Catalog Number:
AG004R2Z
Chemical Name:
Cyclopentanone, 3-(2-oxopropyl)-2-pentyl-, (2S,3R)-
CAS Number:
855433-08-8
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
(2S,3R)-3-(2-oxopropyl)-2-pentylcyclopentan-1-one
InChI:
InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChI Key:
PMVDYAQAPLAXSY-NEPJUHHUSA-N
SMILES:
CCCCC[C@H]1[C@H](CCC1=O)CC(=O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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