Home Carbonyls 3-(furan-2-carbonyl)benzoic acid

3-(furan-2-carbonyl)benzoic acid

CAS No.:
1266996-72-8
Catalog Number:
AG01B4T1
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
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Product Description
Catalog Number:
AG01B4T1
Chemical Name:
3-(furan-2-carbonyl)benzoic acid
CAS Number:
1266996-72-8
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD19317431
IUPAC Name:
3-(furan-2-carbonyl)benzoic acid
InChI:
InChI=1S/C12H8O4/c13-11(10-5-2-6-16-10)8-3-1-4-9(7-8)12(14)15/h1-7H,(H,14,15)
InChI Key:
JYIPWWGHUXADLG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C(=O)c1ccco1
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties