Name: Name:METHYL 5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOXYLATE
Brand: Angene
SKU: AG01DWUV
Rating: 90 (10 reviews)

METHYL 5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOXYLATE

CAS No.:

925004-56-4

Catalog Number:

AG01DWUV

Molecular Formula:

C13H11NO5

Molecular Weight:

261.2301

Catalog Number:

AG01DWUV

Chemical Name:

METHYL 5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOLE-3-CARBOXYLATE

CAS Number:

925004-56-4

Molecular Formula:

C13H11NO5

Molecular Weight:

261.2301

MDL Number:

MFCD08446890

IUPAC Name:

methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate

InChI:

InChI=1S/C13H11NO5/c1-16-13(15)9-7-11(19-14-9)8-2-3-10-12(6-8)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3

InChI Key:

XBMZBRRNNQMRPH-UHFFFAOYSA-N

SMILES:

COC(=O)c1noc(c1)c1ccc2c(c1)OCCO2

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.233g/mol

Monoisotopic Mass:

261.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9