200,000+ products from a single source!
sales@angenechem.com
13571-97-6 | 2-ISOXAZOLIN-5-ONE, 4-[(5-HYDROXY-3-METHYL-4-ISOXAZOLYL)METHYLENE]-3-METHYL-, COMPD. WITH PYRIDINE (1:1)
CAS No: 13571-97-6 Catalog No: AG0080IG MDL No:
Product Description
Catalog Number:
AG0080IG
Chemical Name:
2-ISOXAZOLIN-5-ONE, 4-[(5-HYDROXY-3-METHYL-4-ISOXAZOLYL)METHYLENE]-3-METHYL-, COMPD. WITH PYRIDINE (1:1)
CAS Number:
13571-97-6
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one;pyridine
InChI:
InChI=1S/C9H8N2O4.C5H5N/c1-4-6(8(12)14-10-4)3-7-5(2)11-15-9(7)13;1-2-4-6-5-3-1/h3,10H,1-2H3;1-5H
InChI Key:
HQHYUDDXMBFYJN-UHFFFAOYSA-N
SMILES:
c1cccnc1.CC1=NOC(=O)C1=Cc1c(C)noc1O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.