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89805-40-3 | (5Z)-2-amino-5-phenacylidene-1,3-oxazol-4-one
CAS No: 89805-40-3 Catalog No: AG003ZHL MDL No:
Product Description
Catalog Number:
AG003ZHL
Chemical Name:
(5Z)-2-amino-5-phenacylidene-1,3-oxazol-4-one
CAS Number:
89805-40-3
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
IUPAC Name:
2-amino-5-phenacylidene-1,3-oxazol-4-one
InChI:
InChI=1S/C11H8N2O3/c12-11-13-10(15)9(16-11)6-8(14)7-4-2-1-3-5-7/h1-6H,(H2,12,13,15)
InChI Key:
JKUCUGXJJULEAH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/1\OC(=NC1=O)N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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