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89500-21-0 | Propanoic acid, 3-[(8-sulfino-1-naphthalenyl)dithio]-
CAS No: 89500-21-0 Catalog No: AG0041W3 MDL No:
Product Description
Catalog Number:
AG0041W3
Chemical Name:
Propanoic acid, 3-[(8-sulfino-1-naphthalenyl)dithio]-
CAS Number:
89500-21-0
Molecular Formula:
C13H12O4S3
Molecular Weight:
328.4270
IUPAC Name:
3-[(8-sulfinonaphthalen-1-yl)disulfanyl]propanoic acid
InChI:
InChI=1S/C13H12O4S3/c14-12(15)7-8-18-19-10-5-1-3-9-4-2-6-11(13(9)10)20(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)
InChI Key:
ILXJVPXNLXNCEQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCSSc1cccc2c1c(ccc2)S(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.99g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.415g/mol
Monoisotopic Mass:
327.99g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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