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893741-01-0 | 5-(2,3-Dioxo-2,3-dihydro-1H-indol-5-yl)-2-thiophene carbaldehyde
CAS No: 893741-01-0 Catalog No: AG01EYRL MDL No:
Product Description
Catalog Number:
AG01EYRL
Chemical Name:
5-(2,3-Dioxo-2,3-dihydro-1H-indol-5-yl)-2-thiophene carbaldehyde
CAS Number:
893741-01-0
Molecular Formula:
C13H7NO3S
Molecular Weight:
257.2646
IUPAC Name:
5-(2,3-dioxo-1H-indol-5-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C13H7NO3S/c15-6-8-2-4-11(18-8)7-1-3-10-9(5-7)12(16)13(17)14-10/h1-6H,(H,14,16,17)
InChI Key:
CBHRPFNHSPCFIE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccc2c(c1)C(=O)C(=O)N2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.263g/mol
Monoisotopic Mass:
257.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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