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Home Other Building Blocks Propyl propanoate

Propyl propanoate

CAS No.:
106-36-5
Catalog Number:
AG0035J6
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG0035J6
Chemical Name:
Propyl propanoate
CAS Number:
106-36-5
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00009373
IUPAC Name:
propyl propanoate
InChI:
InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChI Key:
MCSINKKTEDDPNK-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CC
EC Number:
203-389-7
UNII:
G09TRV00GK
NSC Number:
72022
FEMA Number:
2958
Properties
Complexity:
68.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Reaction rate coefficients of OH radicals and Cl atoms with ethyl propanoate, n-propyl propanoate, methyl 2-methylpropanoate, and ethyl n-butanoate. The journal of physical chemistry. A 20091008
Temporal integration in nasal lateralization of homologous propionates. Inhalation toxicology 20090801
Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts. FEMS yeast research 20050201
Properties