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115191-81-6 | 1,3-Cyclopentanedione, 2-[3-(tetrahydro-2-furanyl)propyl]-
CAS No: 115191-81-6 Catalog No: AG000GE3 MDL No:
Product Description
Catalog Number:
AG000GE3
Chemical Name:
1,3-Cyclopentanedione, 2-[3-(tetrahydro-2-furanyl)propyl]-
CAS Number:
115191-81-6
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
2-[3-(oxolan-2-yl)propyl]cyclopentane-1,3-dione
InChI:
InChI=1S/C12H18O3/c13-11-6-7-12(14)10(11)5-1-3-9-4-2-8-15-9/h9-10H,1-8H2
InChI Key:
NFOZKDNSXZORIZ-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C1CCCC1CCCO1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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