Home Carboxys rac-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic Acid

rac-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic Acid

CAS No.:
105300-40-1
Catalog Number:
AG008T3V
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008T3V
Chemical Name:
rac-6-Fluoro-3,4-dihydro-4-oxo-2H-1-benzopyran-2-carboxylic Acid
CAS Number:
105300-40-1
MDL Number:
MFCD03094353
IUPAC Name:
6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
InChI:
InChI=1S/C10H7FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)
InChI Key:
BWXXHZKFLLLJQP-UHFFFAOYSA-N
EC Number:
600-643-2
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.16g/mol
Monoisotopic Mass:
210.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
6-Fluoro-4-oxochroman-2-carboxylic acid. Acta crystallographica. Section E, Structure reports online 20100201
Properties