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Home > Indoles and Oxindole > 1263287-82-6
1263287-82-6 | 1H-Indole, 3-(2-hydrazinylethyl)-5-methoxy-, 2-butenedioate (1:1)
CAS No: 1263287-82-6 Catalog No: AG000SN1 MDL No:
Product Description
Catalog Number:
AG000SN1
Chemical Name:
1H-Indole, 3-(2-hydrazinylethyl)-5-methoxy-, 2-butenedioate (1:1)
CAS Number:
1263287-82-6
Molecular Formula:
C15H19N3O5
Molecular Weight:
321.3285
IUPAC Name:
(E)-but-2-enedioic acid;2-(5-methoxy-1H-indol-3-yl)ethylhydrazine
InChI:
InChI=1S/C11H15N3O.C4H4O4/c1-15-9-2-3-11-10(6-9)8(7-13-11)4-5-14-12;5-3(6)1-2-4(7)8/h2-3,6-7,13-14H,4-5,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:
YKGPELUIUSFTPQ-WLHGVMLRSA-N
SMILES:
OC(=O)C=CC(=O)O.NNCCc1c[nH]c2c1cc(OC)cc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
321.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
321.333g/mol
Monoisotopic Mass:
321.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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