sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Isoamyloxyacetic acid

Isoamyloxyacetic acid

CAS No.:
68298-29-3
Catalog Number:
AG006BRQ
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG006BRQ
Chemical Name:
Isoamyloxyacetic acid
CAS Number:
68298-29-3
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD09938730
IUPAC Name:
2-(3-methylbutoxy)acetic acid
InChI:
InChI=1S/C7H14O3/c1-6(2)3-4-10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key:
CLUKHRLTJBCIBD-UHFFFAOYSA-N
SMILES:
CC(CCOCC(=O)O)C
EC Number:
269-553-5
Properties
Complexity:
99  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis, characterization, and use of 2-[(2H(9))butoxy]acetic acid and 2-(3-methylbutoxy)acetic acid as an internal standard and an instrument performance surrogate, respectively, for the gas chromatographic-mass spectrometric determination of 2-butoxyacetic acid, a human metabolite of 2-butoxyethanol. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030725
Properties