200,000+ products from a single source!
sales@angenechem.com
14594-25-3 | Pentanoic acid, 5-bromo-4-oxo-, ethyl ester
CAS No: 14594-25-3 Catalog No: AG001DJK MDL No:
Product Description
Catalog Number:
AG001DJK
Chemical Name:
Pentanoic acid, 5-bromo-4-oxo-, ethyl ester
CAS Number:
14594-25-3
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
IUPAC Name:
ethyl 5-bromo-4-oxopentanoate
InChI:
InChI=1S/C7H11BrO3/c1-2-11-7(10)4-3-6(9)5-8/h2-5H2,1H3
InChI Key:
HZTCCISWRZQSRU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)CBr
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.