200,000+ products from a single source!
sales@angenechem.com
37517-81-0 | Methyl 3-Chloro-3-Oxopropanoate
CAS No: 37517-81-0 Catalog No: AG00356S MDL No:MFCD00013657
Product Description
Catalog Number:
AG00356S
Chemical Name:
Methyl 3-Chloro-3-Oxopropanoate
CAS Number:
37517-81-0
Molecular Formula:
C4H5ClO3
Molecular Weight:
136.5337
MDL Number:
MFCD00013657
IUPAC Name:
methyl 3-chloro-3-oxopropanoate
InChI:
InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
InChI Key:
UTBCRHAMJFMIIR-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Cl
EC Number:
253-540-6
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.993g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.531g/mol
Monoisotopic Mass:
135.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and mesomorphic properties of calamitic malonates and cyanoacetates tethered to 4-cyanobiphenyls. | Beilstein journal of organic chemistry 20120101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.