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Home > Indoles and Oxindole > 718603-58-8
718603-58-8 | METHYL 4-(1H-INDOL-3-YL)-2,4-DIOXOBUTANOATE
CAS No: 718603-58-8 Catalog No: AG0061VI MDL No:MFCD20503033
Product Description
Catalog Number:
AG0061VI
Chemical Name:
METHYL 4-(1H-INDOL-3-YL)-2,4-DIOXOBUTANOATE
CAS Number:
718603-58-8
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD20503033
IUPAC Name:
methyl 4-(1H-indol-3-yl)-2,4-dioxobutanoate
InChI:
InChI=1S/C13H11NO4/c1-18-13(17)12(16)6-11(15)9-7-14-10-5-3-2-4-8(9)10/h2-5,7,14H,6H2,1H3
InChI Key:
JZRSMIJNQIYQJJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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