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29179-41-7 | Naphtho[1,2-b]thiophene-2-carboxylic acid, 4,5-dihydro-
CAS No: 29179-41-7 Catalog No: AG002XLF MDL No:MFCD01569125
Product Description
Catalog Number:
AG002XLF
Chemical Name:
Naphtho[1,2-b]thiophene-2-carboxylic acid, 4,5-dihydro-
CAS Number:
29179-41-7
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
MDL Number:
MFCD01569125
IUPAC Name:
4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
InChI:
InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)
InChI Key:
IGBRCZHGFVMFCR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)c1ccccc1CC2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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