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917747-58-1 | (E)-2-Methyl-3-(5-methyl-isoxazol-3-ylcarbamoyl)-acrylic acid
CAS No: 917747-58-1 Catalog No: AG01EZ5R MDL No:
Product Description
Catalog Number:
AG01EZ5R
Chemical Name:
(E)-2-Methyl-3-(5-methyl-isoxazol-3-ylcarbamoyl)-acrylic acid
CAS Number:
917747-58-1
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C9H10N2O4/c1-5(9(13)14)3-8(12)10-7-4-6(2)15-11-7/h3-4H,1-2H3,(H,13,14)(H,10,11,12)
InChI Key:
MVKQANSMOSLNFU-UHFFFAOYSA-N
SMILES:
C/C(=C\C(=O)Nc1cc(on1)C)/C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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