Home Other Building Blocks 3-(acetyloxy)propanoic acid

3-(acetyloxy)propanoic acid

CAS No.:
4272-12-2
Catalog Number:
AG019TYX
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
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Product Description
Catalog Number:
AG019TYX
Chemical Name:
3-(acetyloxy)propanoic acid
CAS Number:
4272-12-2
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
MDL Number:
MFCD00040206
IUPAC Name:
3-acetyloxypropanoic acid
InChI:
InChI=1S/C5H8O4/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key:
RFEXARYJXBYPLD-UHFFFAOYSA-N
SMILES:
OC(=O)CCOC(=O)C
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.042g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.115g/mol
Monoisotopic Mass:
132.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Characterization of polar compounds and oligomers in secondary organic aerosol using liquid chromatography coupled to mass spectrometry. Analytical chemistry 20080115
Properties