Name: Name:3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
Brand: Angene
SKU: AG00JFL1
Rating: 90 (10 reviews)

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

CAS No.:

1018143-20-8

Catalog Number:

AG00JFL1

Molecular Formula:

C11H11NO4

Molecular Weight:

221.2093

Catalog Number:

AG00JFL1

Chemical Name:

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

CAS Number:

1018143-20-8

Molecular Formula:

C11H11NO4

Molecular Weight:

221.2093

MDL Number:

MFCD09701747

IUPAC Name:

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

InChI:

InChI=1S/C11H11NO4/c1-15-8-4-2-3-7(5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)

InChI Key:

NJIQUJAJLOOAOX-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)C1=NOC(C1)C(=O)O

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.212g/mol

Monoisotopic Mass:

221.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4