Home Other Building Blocks ethyl 2-ethyl-2-(hydroxymethyl)butanoate

ethyl 2-ethyl-2-(hydroxymethyl)butanoate

CAS No.:
243835-98-5
Catalog Number:
AG01C3B5
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
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Product Description
Catalog Number:
AG01C3B5
Chemical Name:
ethyl 2-ethyl-2-(hydroxymethyl)butanoate
CAS Number:
243835-98-5
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD29060393
IUPAC Name:
ethyl 2-ethyl-2-(hydroxymethyl)butanoate
InChI:
InChI=1S/C9H18O3/c1-4-9(5-2,7-10)8(11)12-6-3/h10H,4-7H2,1-3H3
InChI Key:
QXHUZDYHNVLCHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CO)(CC)CC
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties