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84604-58-0 | Cyclopentanecarboxaldehyde,2-pentyl-
CAS No: 84604-58-0 Catalog No: AG004TS4 MDL No:
Product Description
Catalog Number:
AG004TS4
Chemical Name:
Cyclopentanecarboxaldehyde,2-pentyl-
CAS Number:
84604-58-0
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
2-pentylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C11H20O/c1-2-3-4-6-10-7-5-8-11(10)9-12/h9-11H,2-8H2,1H3
InChI Key:
MHKAJZIRAYWAOI-UHFFFAOYSA-N
SMILES:
CCCCCC1CCCC1C=O
EC Number:
283-339-9
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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