Home Carboxys 3-(o-tolyl)-4,5-dihydroisoxazole-5-carboxylic acid

3-(o-tolyl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
1038311-76-0
Catalog Number:
AG01BI2Z
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01BI2Z
Chemical Name:
3-(o-tolyl)-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
1038311-76-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD11203714
IUPAC Name:
3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c1-7-4-2-3-5-8(7)9-6-10(11(13)14)15-12-9/h2-5,10H,6H2,1H3,(H,13,14)
InChI Key:
LGUIIQKRAPDXBD-UHFFFAOYSA-N
SMILES:
OC(=O)C1ON=C(C1)c1ccccc1C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties