Home Other Building Blocks 3-[(4-methylpentan-2-yl)oxy]propanoic acid

3-[(4-methylpentan-2-yl)oxy]propanoic acid

CAS No.:
1016876-66-6
Catalog Number:
AG019Z1X
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
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Product Description
Catalog Number:
AG019Z1X
Chemical Name:
3-[(4-methylpentan-2-yl)oxy]propanoic acid
CAS Number:
1016876-66-6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD09951157
IUPAC Name:
3-(4-methylpentan-2-yloxy)propanoic acid
InChI:
InChI=1S/C9H18O3/c1-7(2)6-8(3)12-5-4-9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChI Key:
XKZLUSUYTUQNNP-UHFFFAOYSA-N
SMILES:
CC(CC(OCCC(=O)O)C)C
Properties
Complexity:
132  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties