200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 84612-77-1
84612-77-1 | Hexanoic acid, 3-ethyl-, ethyl ester
CAS No: 84612-77-1 Catalog No: AG004Q34 MDL No:
Product Description
Catalog Number:
AG004Q34
Chemical Name:
Hexanoic acid, 3-ethyl-, ethyl ester
CAS Number:
84612-77-1
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
ethyl 3-ethylhexanoate
InChI:
InChI=1S/C10H20O2/c1-4-7-9(5-2)8-10(11)12-6-3/h9H,4-8H2,1-3H3
InChI Key:
IZJZWBNWUOYBQI-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)OCC)CC
Properties
Complexity:
121
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.