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81017-02-9

81017-02-9 | 2H-Pyran-2-one, 4-hydroxy-6-pentyl-

CAS No: 81017-02-9 Catalog No: AG0056M2 MDL No:

Product Description

Catalog Number:
AG0056M2
Chemical Name:
2H-Pyran-2-one, 4-hydroxy-6-pentyl-
CAS Number:
81017-02-9
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
4-hydroxy-6-pentylpyran-2-one
InChI:
InChI=1S/C10H14O3/c1-2-3-4-5-9-6-8(11)7-10(12)13-9/h6-7,11H,2-5H2,1H3
InChI Key:
YIXLDRQOKWESBI-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(O)cc(=O)o1

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
LAP5 and LAP6 encode anther-specific proteins with similarity to chalcone synthase essential for pollen exine development in Arabidopsis. Plant physiology 20100701
Biosynthesis of Dictyostelium discoideum differentiation-inducing factor by a hybrid type I fatty acid-type III polyketide synthase. Nature chemical biology 20060901

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