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Home Carbonyls Benzoic acid, 4-[(methoxycarbonyl)amino]-

Benzoic acid, 4-[(methoxycarbonyl)amino]-

CAS No.:
30063-17-3
Catalog Number:
AG00I5LV
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG00I5LV
Chemical Name:
Benzoic acid, 4-[(methoxycarbonyl)amino]-
CAS Number:
30063-17-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00591220
IUPAC Name:
4-(methoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-9(13)10-7-4-2-6(3-5-7)8(11)12/h2-5H,1H3,(H,10,13)(H,11,12)
InChI Key:
JSUHHMXMSAXTMY-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties