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876881-48-0 | 5-(1H-INDOL-1-YLMETHYL)-2-FUROIC ACID
CAS No: 876881-48-0 Catalog No: AG004NSL MDL No:MFCD06752042
Product Description
Catalog Number:
AG004NSL
Chemical Name:
5-(1H-INDOL-1-YLMETHYL)-2-FUROIC ACID
CAS Number:
876881-48-0
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
MDL Number:
MFCD06752042
IUPAC Name:
5-(indol-1-ylmethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C14H11NO3/c16-14(17)13-6-5-11(18-13)9-15-8-7-10-3-1-2-4-12(10)15/h1-8H,9H2,(H,16,17)
InChI Key:
KXUPBSSWCTZYAC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)Cn1ccc2c1cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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