Home Other Building Blocks ethyl 5-hydroxy-4-oxohexanoate

ethyl 5-hydroxy-4-oxohexanoate

CAS No.:
105469-27-0
Catalog Number:
AG01B99X
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
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Product Description
Catalog Number:
AG01B99X
Chemical Name:
ethyl 5-hydroxy-4-oxohexanoate
CAS Number:
105469-27-0
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD24708911
IUPAC Name:
ethyl 5-hydroxy-4-oxohexanoate
InChI:
InChI=1S/C8H14O4/c1-3-12-8(11)5-4-7(10)6(2)9/h6,9H,3-5H2,1-2H3
InChI Key:
GSENFXYTGFEDPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)C(O)C
Properties
Complexity:
164  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties