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89150-12-9 | 5-Oxazolepropanoic acid, 4-(2-chlorophenyl)-2-methyl-
CAS No: 89150-12-9 Catalog No: AG003XHK MDL No:
Product Description
Catalog Number:
AG003XHK
Chemical Name:
5-Oxazolepropanoic acid, 4-(2-chlorophenyl)-2-methyl-
CAS Number:
89150-12-9
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
IUPAC Name:
3-[4-(2-chlorophenyl)-2-methyl-1,3-oxazol-5-yl]propanoic acid
InChI:
InChI=1S/C13H12ClNO3/c1-8-15-13(9-4-2-3-5-10(9)14)11(18-8)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChI Key:
JWNJYAZPDMZHJN-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1oc(nc1c1ccccc1Cl)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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