Home Carboxys 5-Acetylamino-2-furancarboxylic acid methyl ester

5-Acetylamino-2-furancarboxylic acid methyl ester

CAS No.:
31230-24-7
Catalog Number:
AG00BKBW
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG00BKBW
Chemical Name:
5-Acetylamino-2-furancarboxylic acid methyl ester
CAS Number:
31230-24-7
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD01671009
IUPAC Name:
methyl 5-acetamidofuran-2-carboxylate
InChI:
InChI=1S/C8H9NO4/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChI Key:
QNNUFCFGWWVMMX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)NC(=O)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties