Home Carboxys 7-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

7-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

CAS No.:
944904-25-0
Catalog Number:
AG01AMR8
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
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Product Description
Catalog Number:
AG01AMR8
Chemical Name:
7-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CAS Number:
944904-25-0
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
MDL Number:
MFCD10696184
IUPAC Name:
7-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
InChI:
InChI=1S/C10H9FO3/c11-7-3-1-6-2-4-8(10(12)13)14-9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChI Key:
JYXWUWXJDMWTMS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(O1)cc(cc2)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.177g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties