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55299-21-3 | 3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol
CAS No: 55299-21-3 Catalog No: AG00DTDH MDL No:
Product Description
Catalog Number:
AG00DTDH
Chemical Name:
3-(6-Ethenyl-4-methyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-2-methyl-7,8-isoquinolinediol
CAS Number:
55299-21-3
IUPAC Name:
3-(6-ethenyl-4-methyl-1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diol
InChI:
InChI=1S/C20H21NO4/c1-4-12-8-17-20(25-10-24-17)11(2)18(12)15-7-13-5-6-16(22)19(23)14(13)9-21(15)3/h4-6,8,15,22-23H,1,7,9-10H2,2-3H3
InChI Key:
UCGNVPDCDDTAID-UHFFFAOYSA-N
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.391g/mol
Monoisotopic Mass:
339.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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