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1257266-93-5 | 5-Oxazolecarboxylic acid, 2-ethenyl-, ethyl ester
CAS No: 1257266-93-5 Catalog No: AG000OJ4 MDL No:MFCD22572863
Product Description
Catalog Number:
AG000OJ4
Chemical Name:
5-Oxazolecarboxylic acid, 2-ethenyl-, ethyl ester
CAS Number:
1257266-93-5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD22572863
IUPAC Name:
ethyl 2-ethenyl-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-3-7-9-5-6(12-7)8(10)11-4-2/h3,5H,1,4H2,2H3
InChI Key:
RHKCNOBFNDEJTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(o1)C=C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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