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15869-79-1 | 1,3-Cyclopentanedione, 2-pentyl-
CAS No: 15869-79-1 Catalog No: AG001QR1 MDL No:
Product Description
Catalog Number:
AG001QR1
Chemical Name:
1,3-Cyclopentanedione, 2-pentyl-
CAS Number:
15869-79-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-pentylcyclopentane-1,3-dione
InChI:
InChI=1S/C10H16O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h8H,2-7H2,1H3
InChI Key:
WJFHZGWEIOVETL-UHFFFAOYSA-N
SMILES:
CCCCCC1C(=O)CCC1=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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