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160248-28-2 | Benzoic acid, 4,4',4'',4'''-methanetetrayltetrakis-
CAS No: 160248-28-2 Catalog No: AG001RTB MDL No:MFCD28385403
Product Description
Catalog Number:
AG001RTB
Chemical Name:
Benzoic acid, 4,4',4'',4'''-methanetetrayltetrakis-
CAS Number:
160248-28-2
Molecular Formula:
C29H20O8
Molecular Weight:
496.4643
MDL Number:
MFCD28385403
IUPAC Name:
4-[tris(4-carboxyphenyl)methyl]benzoic acid
InChI:
InChI=1S/C29H20O8/c30-25(31)17-1-9-21(10-2-17)29(22-11-3-18(4-12-22)26(32)33,23-13-5-19(6-14-23)27(34)35)24-15-7-20(8-16-24)28(36)37/h1-16H,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChI Key:
VSFXBCHNPQPWBX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)O)(c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.116g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
496.471g/mol
Monoisotopic Mass:
496.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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