Name: Name:3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde
Brand: Angene
SKU: AG009ICS
Rating: 90 (10 reviews)

3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde

CAS No.:

1214741-19-1

Catalog Number:

AG009ICS

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

Catalog Number:

AG009ICS

Chemical Name:

3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde

CAS Number:

1214741-19-1

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

MDL Number:

MFCD20488025

IUPAC Name:

(3R,7aR)-3-tert-butyl-1,5-dioxo-6,7-dihydro-3H-pyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde

InChI:

InChI=1S/C11H15NO4/c1-10(2,3)8-12-7(14)4-5-11(12,6-13)9(15)16-8/h6,8H,4-5H2,1-3H3/t8-,11-/m1/s1

InChI Key:

PBHXYYXEZQXDLB-LDYMZIIASA-N

SMILES:

O=C[C@]12CCC(=O)N2[C@H](OC1=O)C(C)(C)C

EC Number:

812-036-1

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.244g/mol

Monoisotopic Mass:

225.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9