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114985-75-0 | 1H-Indole, 2,3-dihydro-1-methyl-, ethanedioate (1:1)
CAS No: 114985-75-0 Catalog No: AG000FJJ MDL No:
Product Description
Catalog Number:
AG000FJJ
Chemical Name:
1H-Indole, 2,3-dihydro-1-methyl-, ethanedioate (1:1)
CAS Number:
114985-75-0
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
1-methyl-2,3-dihydroindole;oxalic acid
InChI:
InChI=1S/C9H11N.C2H2O4/c1-10-7-6-8-4-2-3-5-9(8)10;3-1(4)2(5)6/h2-5H,6-7H2,1H3;(H,3,4)(H,5,6)
InChI Key:
XAYOLDCLLHAVQC-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN1CCc2c1cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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