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Home > Indoles and Oxindole > 88059-38-5
88059-38-5 | 1H-Indole, 4-(4-ethyl-2-morpholinyl)-, (2E)-2-butenedioate (1:1)
CAS No: 88059-38-5 Catalog No: AG004FGF MDL No:
Product Description
Catalog Number:
AG004FGF
Chemical Name:
1H-Indole, 4-(4-ethyl-2-morpholinyl)-, (2E)-2-butenedioate (1:1)
CAS Number:
88059-38-5
Molecular Formula:
C18H22N2O5
Molecular Weight:
346.3777
IUPAC Name:
but-2-enedioic acid;4-ethyl-2-(1H-indol-4-yl)morpholine
InChI:
InChI=1S/C14H18N2O.C4H4O4/c1-2-16-8-9-17-14(10-16)12-4-3-5-13-11(12)6-7-15-13;5-3(6)1-2-4(7)8/h3-7,14-15H,2,8-10H2,1H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
JITTWLVZIIPZPN-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.CCN1CCOC(C1)c1cccc2c1cc[nH]2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.383g/mol
Monoisotopic Mass:
346.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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