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628297-38-1 | 3-(3-Methylisoxazol-5-yl)benzoic acid
CAS No: 628297-38-1 Catalog No: AG019GCP MDL No:MFCD09756428
Product Description
Catalog Number:
AG019GCP
Chemical Name:
3-(3-Methylisoxazol-5-yl)benzoic acid
CAS Number:
628297-38-1
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD09756428
IUPAC Name:
3-(3-methyl-1,2-oxazol-5-yl)benzoic acid
InChI:
InChI=1S/C11H9NO3/c1-7-5-10(15-12-7)8-3-2-4-9(6-8)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
JSAHTCSFHQVFIK-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
244
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:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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