Home Other Building Blocks 2-Phenethyl hexanoate

2-Phenethyl hexanoate

CAS No.:
6290-37-5
Catalog Number:
AG003HUB
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
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Product Description
Catalog Number:
AG003HUB
Chemical Name:
2-Phenethyl hexanoate
CAS Number:
6290-37-5
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD00027279
IUPAC Name:
2-phenylethyl hexanoate
InChI:
InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChI Key:
BUYNWUMUDHPPDS-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCc1ccccc1
EC Number:
228-538-3
UNII:
X7R57M68KR
NSC Number:
6651
FEMA Number:
3221
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties