200,000+ products from a single source!
sales@angenechem.com
14113-02-1 | Octanoic acid, 8-chloro-8-oxo-, ethyl ester
CAS No: 14113-02-1 Catalog No: AG001FYY MDL No:
Product Description
Catalog Number:
AG001FYY
Chemical Name:
Octanoic acid, 8-chloro-8-oxo-, ethyl ester
CAS Number:
14113-02-1
Molecular Formula:
C10H17ClO3
Molecular Weight:
220.6932
IUPAC Name:
ethyl 8-chloro-8-oxooctanoate
InChI:
InChI=1S/C10H17ClO3/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3
InChI Key:
ZKXJSBHGOFAICL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)Cl
EC Number:
237-969-6
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.693g/mol
Monoisotopic Mass:
220.087g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.