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21089-44-1 | Benzeneacetic acid, α,α'-dithiobis[α-phenyl- (9CI)
CAS No: 21089-44-1 Catalog No: AG002L1N MDL No:
Product Description
Catalog Number:
AG002L1N
Chemical Name:
Benzeneacetic acid, α,α'-dithiobis[α-phenyl- (9CI)
CAS Number:
21089-44-1
Molecular Formula:
C28H22O4S2
Molecular Weight:
486.6019
IUPAC Name:
2-[[carboxy(diphenyl)methyl]disulfanyl]-2,2-diphenylacetic acid
InChI:
InChI=1S/C28H22O4S2/c29-25(30)27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)33-34-28(26(31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H,29,30)(H,31,32)
InChI Key:
MMYHHXVQHCJTHT-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)(c1ccccc1)SSC(c1ccccc1)(c1ccccc1)C(=O)O
NSC Number:
139176
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.096g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
486.6g/mol
Monoisotopic Mass:
486.096g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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