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13215-72-0 | [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid
CAS No: 13215-72-0 Catalog No: AG0010BC MDL No:
Product Description
Catalog Number:
AG0010BC
Chemical Name:
[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid
CAS Number:
13215-72-0
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
IUPAC Name:
4-[3-(4-carboxyphenyl)phenyl]benzoic acid
InChI:
InChI=1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24)
InChI Key:
KFHMRRYUOBRPAA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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