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797774-26-6 | [3-(Furan-2-carbonyl)-indol-1-yl]-acetic acid
CAS No: 797774-26-6 Catalog No: AG01FAI6 MDL No:
Product Description
Catalog Number:
AG01FAI6
Chemical Name:
[3-(Furan-2-carbonyl)-indol-1-yl]-acetic acid
CAS Number:
797774-26-6
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
IUPAC Name:
2-[3-(furan-2-carbonyl)indol-1-yl]acetic acid
InChI:
InChI=1S/C15H11NO4/c17-14(18)9-16-8-11(10-4-1-2-5-12(10)16)15(19)13-6-3-7-20-13/h1-8H,9H2,(H,17,18)
InChI Key:
SSAJSVFOQLEWAI-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(c2c1cccc2)C(=O)c1ccco1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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