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7470-38-4 | 4-Morpholinobenzoic acid
CAS No: 7470-38-4 Catalog No: AG003LT5 MDL No:MFCD00588379
Product Description
Catalog Number:
AG003LT5
Chemical Name:
4-Morpholinobenzoic acid
CAS Number:
7470-38-4
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00588379
IUPAC Name:
4-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
InChI Key:
XVAJKPNTGSKZSQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1CCOCC1
NSC Number:
402784
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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