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3919-86-6 | 5-PHENYLISOXAZOLE-3-PROPIONIC ACID
CAS No: 3919-86-6 Catalog No: AG00CLE9 MDL No:
Product Description
Catalog Number:
AG00CLE9
Chemical Name:
5-PHENYLISOXAZOLE-3-PROPIONIC ACID
CAS Number:
3919-86-6
IUPAC Name:
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
InChI:
InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChI Key:
XESGOZDUEGZQTB-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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