Name: Name:(S)-1,4-Benzodioxan-2-carboxypiperazine
Brand: Angene
SKU: AG00BZ20
Rating: 90 (10 reviews)

(S)-1,4-Benzodioxan-2-carboxypiperazine

CAS No.:

401941-54-6

Catalog Number:

AG00BZ20

Molecular Formula:

C13H16N2O3

Molecular Weight:

248.2777

Catalog Number:

AG00BZ20

Chemical Name:

(S)-1,4-Benzodioxan-2-carboxypiperazine

CAS Number:

401941-54-6

Molecular Formula:

C13H16N2O3

Molecular Weight:

248.2777

MDL Number:

MFCD03426389

IUPAC Name:

[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone

InChI:

InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/t12-/m0/s1

InChI Key:

FLUPDJNTYCSBJZ-LBPRGKRZSA-N

SMILES:

O=C([C@@H]1COc2c(O1)cccc2)N1CCNCC1

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.282g/mol

Monoisotopic Mass:

248.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7