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798561-88-3 | Benzoic acid, 4-(2-dibenzofuranylcarbonyl)-
CAS No: 798561-88-3 Catalog No: AG00555F MDL No:
Product Description
Catalog Number:
AG00555F
Chemical Name:
Benzoic acid, 4-(2-dibenzofuranylcarbonyl)-
CAS Number:
798561-88-3
Molecular Formula:
C20H12O4
Molecular Weight:
316.3069
IUPAC Name:
4-(dibenzofuran-2-carbonyl)benzoic acid
InChI:
InChI=1S/C20H12O4/c21-19(12-5-7-13(8-6-12)20(22)23)14-9-10-18-16(11-14)15-3-1-2-4-17(15)24-18/h1-11H,(H,22,23)
InChI Key:
LREWZRKWOZVAPW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)c1ccccc1o2)c1ccc(cc1)C(=O)O
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.312g/mol
Monoisotopic Mass:
316.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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