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19717-59-0 | 2-Naphthalenecarboxylic acid, 3-(acetylamino)-
CAS No: 19717-59-0 Catalog No: AG002AN0 MDL No:MFCD07692303
Product Description
Catalog Number:
AG002AN0
Chemical Name:
2-Naphthalenecarboxylic acid, 3-(acetylamino)-
CAS Number:
19717-59-0
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD07692303
IUPAC Name:
3-acetamidonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChI Key:
FHXRDNPWHSTOGC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2ccccc2cc1C(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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