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29685 molecular structure
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naphthalene-1,5-disulfonic acid

ChemBase ID: 125930
Molecular Formular: C10H8O6S2
Molecular Mass: 288.29692
Monoisotopic Mass: 287.97622998
SMILES and InChIs

SMILES:
O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O
InChI:
InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey:
XTEGVFVZDVNBPF-UHFFFAOYSA-N

Cite this record

CBID:125930 http://www.chembase.cn/molecule-125930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-1,5-disulfonic acid
IUPAC Traditional name
1,5-naphthalenedisulfonic acid
Synonyms
Naphthalene-1,5-disulfonic acid
Armstrong's acid
Armstrong's acid
1,5-Naphthalenedisulfonic acid
CAS Number
29685
81-04-9
MDL Number
MFCD00003996
PubChem SID
162220273
PubChem CID
6666
CHEBI ID
30890
Chemspider ID
6414
Wikipedia Title
Armstrong's_acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.7168899  H Acceptors
H Donor LogD (pH = 5.5) -3.4282577 
LogD (pH = 7.4) -3.4282615  Log P 1.324536 
Molar Refractivity 63.7532 cm3 Polarizability 27.085737 Å3
Polar Surface Area 108.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Main Hazard
corrosive expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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