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Home Other Building Blocks 2-(3-carbamoylphenoxy)acetic acid

2-(3-carbamoylphenoxy)acetic acid

CAS No.:
500866-01-3
Catalog Number:
AG019WF2
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG019WF2
Chemical Name:
2-(3-carbamoylphenoxy)acetic acid
CAS Number:
500866-01-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD09943019
IUPAC Name:
2-(3-carbamoylphenoxy)acetic acid
InChI:
InChI=1S/C9H9NO4/c10-9(13)6-2-1-3-7(4-6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChI Key:
DCZLMOYGKHSTTQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc(c1)C(=O)N
NSC Number:
610282
Properties
Complexity:
229  
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:
4  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Targeting multiple chorismate-utilizing enzymes with a single inhibitor: validation of a three-stage design. Journal of medicinal chemistry 20100513
Aminodeoxychorismate synthase inhibitors from one-bead one-compound combinatorial libraries: 'staged' inhibitor design. Journal of medicinal chemistry 20061214
Properties