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141679-49-4 | 4-Isoxazolebutanoic acid
CAS No: 141679-49-4 Catalog No: AG001GUX MDL No:
Product Description
Catalog Number:
AG001GUX
Chemical Name:
4-Isoxazolebutanoic acid
CAS Number:
141679-49-4
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
4-(1,2-oxazol-4-yl)butanoic acid
InChI:
InChI=1S/C7H9NO3/c9-7(10)3-1-2-6-4-8-11-5-6/h4-5H,1-3H2,(H,9,10)
InChI Key:
RMFRUIRKHQOZCG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1conc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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