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119737-52-9 | Butanoic acid, 4-[[(3-methyl-5-isoxazolyl)carbonyl]amino]-
CAS No: 119737-52-9 Catalog No: AG000PL6 MDL No:
Product Description
Catalog Number:
AG000PL6
Chemical Name:
Butanoic acid, 4-[[(3-methyl-5-isoxazolyl)carbonyl]amino]-
CAS Number:
119737-52-9
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
InChI:
InChI=1S/C9H12N2O4/c1-6-5-7(15-11-6)9(14)10-4-2-3-8(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13)
InChI Key:
QVLJRVUEXTYYQK-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)C(=O)NCCCC(=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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