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89513-76-8 | Acetic acid, [(8-sulfino-1-naphthalenyl)dithio]-
CAS No: 89513-76-8 Catalog No: AG004131 MDL No:
Product Description
Catalog Number:
AG004131
Chemical Name:
Acetic acid, [(8-sulfino-1-naphthalenyl)dithio]-
CAS Number:
89513-76-8
Molecular Formula:
C12H10O4S3
Molecular Weight:
314.4004
IUPAC Name:
2-[(8-sulfinonaphthalen-1-yl)disulfanyl]acetic acid
InChI:
InChI=1S/C12H10O4S3/c13-11(14)7-17-18-9-5-1-3-8-4-2-6-10(12(8)9)19(15)16/h1-6H,7H2,(H,13,14)(H,15,16)
InChI Key:
JQJUVTWUSYGVLO-UHFFFAOYSA-N
SMILES:
OC(=O)CSSc1cccc2c1c(ccc2)S(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
313.974g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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