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123063-92-3 | 9H-Carbazole-9-ethanol, 1,2,3,4-tetrahydro-6-methoxy-α-(4-morpholinylmethyl)-, (2E)-2-butenedioate (1:1) (salt) (9CI)
CAS No: 123063-92-3 Catalog No: AG000K08 MDL No:
Product Description
Catalog Number:
AG000K08
Chemical Name:
9H-Carbazole-9-ethanol, 1,2,3,4-tetrahydro-6-methoxy-α-(4-morpholinylmethyl)-, (2E)-2-butenedioate (1:1) (salt) (9CI)
CAS Number:
123063-92-3
Molecular Formula:
C24H32N2O7
Molecular Weight:
460.5201
IUPAC Name:
but-2-enedioic acid;1-(6-methoxy-1,2,3,4-tetrahydrocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol
InChI:
InChI=1S/C20H28N2O3.C4H4O4/c1-24-16-6-7-20-18(12-16)17-4-2-3-5-19(17)22(20)14-15(23)13-21-8-10-25-11-9-21;5-3(6)1-2-4(7)8/h6-7,12,15,23H,2-5,8-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
OXPDYIQAPUQSAU-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.COc1ccc2c(c1)c1CCCCc1n2CC(CN1CCOCC1)O
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.221g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
460.527g/mol
Monoisotopic Mass:
460.221g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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