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100591-76-2 | 2(5H)-Furanone, 5-heptyl-
CAS No: 100591-76-2 Catalog No: AG0002EA MDL No:
Product Description
Catalog Number:
AG0002EA
Chemical Name:
2(5H)-Furanone, 5-heptyl-
CAS Number:
100591-76-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
2-heptyl-2H-furan-5-one
InChI:
InChI=1S/C11H18O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h8-10H,2-7H2,1H3
InChI Key:
HAIDOUOHWZTISS-UHFFFAOYSA-N
SMILES:
CCCCCCCC1C=CC(=O)O1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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