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163843-08-1

163843-08-1 | 2H-Pyran-2-one, tetrahydro-6-pentylidene-, (6E)-

CAS No: 163843-08-1 Catalog No: AG001UG2 MDL No:

Product Description

Catalog Number:
AG001UG2
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-pentylidene-, (6E)-
CAS Number:
163843-08-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
6-pentylideneoxan-2-one
InChI:
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h6H,2-5,7-8H2,1H3
InChI Key:
GRLBVEQTONZPAM-UHFFFAOYSA-N
SMILES:
CCCC/C=C/1\CCCC(=O)O1

Properties

Complexity:
182  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.7  

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