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122228-37-9 | Benzoic acid, 2-hydroxy-5-[(phenylmethylene)amino]-
CAS No: 122228-37-9 Catalog No: AG0016YJ MDL No:
Product Description
Catalog Number:
AG0016YJ
Chemical Name:
Benzoic acid, 2-hydroxy-5-[(phenylmethylene)amino]-
CAS Number:
122228-37-9
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
5-(benzylideneamino)-2-hydroxybenzoic acid
InChI:
InChI=1S/C14H11NO3/c16-13-7-6-11(8-12(13)14(17)18)15-9-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
InChI Key:
RMAGTALKFJVYHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N=Cc2ccccc2)ccc1O
Properties
Complexity:
310
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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