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143921-18-0

143921-18-0 | Hexanoic acid, 6-methoxy-3-oxo-, methyl ester

CAS No: 143921-18-0 Catalog No: AG001ILE MDL No:

Product Description

Catalog Number:
AG001ILE
Chemical Name:
Hexanoic acid, 6-methoxy-3-oxo-, methyl ester
CAS Number:
143921-18-0
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
methyl 6-methoxy-3-oxohexanoate
InChI:
InChI=1S/C8H14O4/c1-11-5-3-4-7(9)6-8(10)12-2/h3-6H2,1-2H3
InChI Key:
HMDBIECVKGPYKI-UHFFFAOYSA-N
SMILES:
COCCCC(=O)CC(=O)OC

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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