Home Other Building Blocks Formic acid,2-ethylhexyl ester

Formic acid,2-ethylhexyl ester

CAS No.:
5460-45-7
Catalog Number:
AG0037O9
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG0037O9
Chemical Name:
Formic acid,2-ethylhexyl ester
CAS Number:
5460-45-7
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
2-ethylhexyl formate
InChI:
InChI=1S/C9H18O2/c1-3-5-6-9(4-2)7-11-8-10/h8-9H,3-7H2,1-2H3
InChI Key:
SIZYAYFVBQLSJP-UHFFFAOYSA-N
SMILES:
CCCCC(COC=O)CC
EC Number:
226-740-6
NSC Number:
21825
Properties
Complexity:
91.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties