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873393-24-9 | 4-Oxazolecarboxylicacid, 4,5-dihydro-5-oxo-2-phenyl-
CAS No: 873393-24-9 Catalog No: AG004O34 MDL No:
Product Description
Catalog Number:
AG004O34
Chemical Name:
4-Oxazolecarboxylicacid, 4,5-dihydro-5-oxo-2-phenyl-
CAS Number:
873393-24-9
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
5-oxo-2-phenyl-4H-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-9(13)7-10(14)15-8(11-7)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)
InChI Key:
YOUWVXIDANPHFF-UHFFFAOYSA-N
SMILES:
OC(=O)C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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