Xylopine

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Catalog Number

ACM517715

Product Name

Xylopine

Structure

CAS

517-71-5

Category

Heterocyclic Organic Compound

Synonyms

(7aR)-6,7,7a,8-Tetrahydro-10-methoxy-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline

Molecular Weight

295.3

InChI

InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1

InChI Key

RFWCCZDSXIZJMF-CQSZACIVSA-N

Melting Point

78-102 °C

Complexity

431

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

295.1208434

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5

Monoisotopic Mass

295.1208434

Physical State

Powder

Rotatable Bond Count

Topological Polar Surface Area

39.7 Å²

MSDS

COA

Spec Sheet

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