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Home Other Building Blocks Propanoic acid, 2-methyl-, hexyl ester

Propanoic acid, 2-methyl-, hexyl ester

CAS No.:
2349-07-7
Catalog Number:
AG002NED
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
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Product Description
Catalog Number:
AG002NED
Chemical Name:
Propanoic acid, 2-methyl-, hexyl ester
CAS Number:
2349-07-7
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00027297
IUPAC Name:
hexyl 2-methylpropanoate
InChI:
InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
InChI Key:
CYHBDKTZDLSRMY-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(C)C
EC Number:
219-075-8
UNII:
5FC79GHU69
NSC Number:
46108
FEMA Number:
3172
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Anti-inflammatory and analgesic properties of Heracleum persicum essential oil and hydroalcoholic extract in animal models. Journal of ethnopharmacology 20090730
Attacks by a piercing-sucking insect (Myzus persicae Sultzer) or a chewing insect (Leptinotarsa decemlineata Say) on potato plants (Solanum tuberosum L.) induce differential changes in volatile compound release and oxylipin synthesis. Journal of experimental botany 20090301
Properties