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115257-92-6 | Propanoic acid, 3-chloro-2-methoxy-3-oxo-, methyl ester
CAS No: 115257-92-6 Catalog No: AG000GJ6 MDL No:
Product Description
Catalog Number:
AG000GJ6
Chemical Name:
Propanoic acid, 3-chloro-2-methoxy-3-oxo-, methyl ester
CAS Number:
115257-92-6
Molecular Formula:
C5H7ClO4
Molecular Weight:
166.5597
IUPAC Name:
methyl 3-chloro-2-methoxy-3-oxopropanoate
InChI:
InChI=1S/C5H7ClO4/c1-9-3(4(6)7)5(8)10-2/h3H,1-2H3
InChI Key:
FNMLUIQLNJKWSQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)Cl)OC
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.003g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.557g/mol
Monoisotopic Mass:
166.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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