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29550-94-5 | Benzoic acid, 2-[[(2-methyl-3-furanyl)carbonyl]amino]-
CAS No: 29550-94-5 Catalog No: AG002YQP MDL No:MFCD00442796
Product Description
Catalog Number:
AG002YQP
Chemical Name:
Benzoic acid, 2-[[(2-methyl-3-furanyl)carbonyl]amino]-
CAS Number:
29550-94-5
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD00442796
IUPAC Name:
2-[(2-methylfuran-3-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChI Key:
MDRZZFBPVFJTIQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NC(=O)c1ccoc1C
Properties
Complexity:
331
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:
2
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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