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154928-89-9 | 5-Isoxazolepropanoic acid, 3-methyl-
CAS No: 154928-89-9 Catalog No: AG001NHE MDL No:MFCD18821876
Product Description
Catalog Number:
AG001NHE
Chemical Name:
5-Isoxazolepropanoic acid, 3-methyl-
CAS Number:
154928-89-9
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD18821876
IUPAC Name:
3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
InChI:
InChI=1S/C7H9NO3/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
MWZIPSOUAUOKRJ-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)CCC(=O)O
Properties
Complexity:
149
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:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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