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24619-05-4 | Benzoic acid, 3,3'-dithiobis[6-hydroxy-
CAS No: 24619-05-4 Catalog No: AG002OT2 MDL No:
Product Description
Catalog Number:
AG002OT2
Chemical Name:
Benzoic acid, 3,3'-dithiobis[6-hydroxy-
CAS Number:
24619-05-4
Molecular Formula:
C14H10O6S2
Molecular Weight:
338.3556
IUPAC Name:
5-[(3-carboxy-4-hydroxyphenyl)disulfanyl]-2-hydroxybenzoic acid
InChI:
InChI=1S/C14H10O6S2/c15-11-3-1-7(5-9(11)13(17)18)21-22-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChI Key:
IPIOEZKHDKHTNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)O)ccc1O
EC Number:
246-360-4
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.992g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
338.348g/mol
Monoisotopic Mass:
337.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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