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900-91-4 | 3,3,3-Triphenylpropanoic acid
CAS No: 900-91-4 Catalog No: AG003IBU MDL No:MFCD00002713
Product Description
Catalog Number:
AG003IBU
Chemical Name:
3,3,3-Triphenylpropanoic acid
CAS Number:
900-91-4
Molecular Formula:
C21H18O2
Molecular Weight:
302.3664
MDL Number:
MFCD00002713
IUPAC Name:
3,3,3-triphenylpropanoic acid
InChI:
InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
InChI Key:
XMSJLUKCGWQAHO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
131292
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.373g/mol
Monoisotopic Mass:
302.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Triarylmethanes, a new class of cx50 inhibitors. | Frontiers in pharmacology 20120101 |
| 2-Aminopyrimidine-3,3,3-triphenylpropanoic acid (1/1). | Acta crystallographica. Section C, Crystal structure communications 20071101 |
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