Home Other Building Blocks ethyl 2-hydroxy-3-methyl-4-oxopentanoate

ethyl 2-hydroxy-3-methyl-4-oxopentanoate

CAS No.:
891858-05-2
Catalog Number:
AG01AUBD
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
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Product Description
Catalog Number:
AG01AUBD
Chemical Name:
ethyl 2-hydroxy-3-methyl-4-oxopentanoate
CAS Number:
891858-05-2
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD24710719
IUPAC Name:
ethyl 2-hydroxy-3-methyl-4-oxopentanoate
InChI:
InChI=1S/C8H14O4/c1-4-12-8(11)7(10)5(2)6(3)9/h5,7,10H,4H2,1-3H3
InChI Key:
UJBGDHMTJMGQQS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(=O)C)C)O
Properties
Complexity:
176  
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:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties