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155602-50-9 | 4-Isoxazoleacetic acid, 5-phenyl-
CAS No: 155602-50-9 Catalog No: AG001O22 MDL No:
Product Description
Catalog Number:
AG001O22
Chemical Name:
4-Isoxazoleacetic acid, 5-phenyl-
CAS Number:
155602-50-9
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
2-(5-phenyl-1,2-oxazol-4-yl)acetic acid
InChI:
InChI=1S/C11H9NO3/c13-10(14)6-9-7-12-15-11(9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
ATDPMUYDXBFCAZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cnoc1c1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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