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102616-64-8 | 1,3-Benzodioxol-5-ol, 6-[(2,3-dimethoxyphenyl)-4-morpholinylmethyl]-
CAS No: 102616-64-8 Catalog No: AG0007XP MDL No:
Product Description
Catalog Number:
AG0007XP
Chemical Name:
1,3-Benzodioxol-5-ol, 6-[(2,3-dimethoxyphenyl)-4-morpholinylmethyl]-
CAS Number:
102616-64-8
Molecular Formula:
C20H23NO6
Molecular Weight:
373.3997
IUPAC Name:
6-[(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
InChI:
InChI=1S/C20H23NO6/c1-23-16-5-3-4-13(20(16)24-2)19(21-6-8-25-9-7-21)14-10-17-18(11-15(14)22)27-12-26-17/h3-5,10-11,19,22H,6-9,12H2,1-2H3
InChI Key:
PKUPFNJHQHKECO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC)C(c1cc2OCOc2cc1O)N1CCOCC1
NSC Number:
381576
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.405g/mol
Monoisotopic Mass:
373.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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