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618383-47-4 | 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
CAS No: 618383-47-4 Catalog No: AG003I4W MDL No:MFCD04124288
Product Description
Catalog Number:
AG003I4W
Chemical Name:
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
CAS Number:
618383-47-4
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD04124288
IUPAC Name:
3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-6H,1H3,(H,13,14)
InChI Key:
WEFMAZCRNQZFAY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)C(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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