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Home Other Building Blocks 4-(carbamoylmethoxy)-3,5-dimethoxybenzoic acid

4-(carbamoylmethoxy)-3,5-dimethoxybenzoic acid

CAS No.:
871673-25-5
Catalog Number:
AG019OS6
Molecular Formula:
C11H13NO6
Molecular Weight:
255.2240
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Product Description
Catalog Number:
AG019OS6
Chemical Name:
4-(carbamoylmethoxy)-3,5-dimethoxybenzoic acid
CAS Number:
871673-25-5
Molecular Formula:
C11H13NO6
Molecular Weight:
255.2240
MDL Number:
MFCD07355836
IUPAC Name:
4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C11H13NO6/c1-16-7-3-6(11(14)15)4-8(17-2)10(7)18-5-9(12)13/h3-4H,5H2,1-2H3,(H2,12,13)(H,14,15)
InChI Key:
KRKRRTKSQZEMLZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OCC(=O)N)OC)C(=O)O
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.226g/mol
Monoisotopic Mass:
255.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties