Name: Name:5-(4-methylphenyl)-4,5-dihydroisoxazole-3-carboxylic acid
Brand: Angene
SKU: AG00JFSN
Rating: 90 (10 reviews)

5-(4-methylphenyl)-4,5-dihydroisoxazole-3-carboxylic acid

CAS No.:

1018170-48-3

Catalog Number:

AG00JFSN

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

Catalog Number:

AG00JFSN

Chemical Name:

5-(4-methylphenyl)-4,5-dihydroisoxazole-3-carboxylic acid

CAS Number:

1018170-48-3

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

IUPAC Name:

5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

InChI:

InChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-5,10H,6H2,1H3,(H,13,14)

InChI Key:

VMLYHAMUXCKCLJ-UHFFFAOYSA-N

SMILES:

OC(=O)C1=NOC(C1)c1ccc(cc1)C

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.213g/mol

Monoisotopic Mass:

205.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7