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89150-41-4 | 5-Oxazoleacetic acid, 2-methyl-4-phenyl-
CAS No: 89150-41-4 Catalog No: AG003WSM MDL No:
Product Description
Catalog Number:
AG003WSM
Chemical Name:
5-Oxazoleacetic acid, 2-methyl-4-phenyl-
CAS Number:
89150-41-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)acetic acid
InChI:
InChI=1S/C12H11NO3/c1-8-13-12(9-5-3-2-4-6-9)10(16-8)7-11(14)15/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
RCLCQAAILJMTDQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1oc(nc1c1ccccc1)C
Properties
Complexity:
251
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:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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